4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide

Formula:C25H25N4O2ClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide is a drug-like molecule.

MolName	4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
MolecularFormula	C25H25N4O2ClF2
Smiles	O=C(C1(CCNCC1)NC(/C=C/c(ccc(Cl)c1)c1F)=O)NCCc1c[nH]c(cc2)c1cc2F
InChI	InChI=1S/C25H25ClF2N4O2/c26-18-3-1-16(21(28)13-18)2-6-23(33)32-25(8-11-29-12-9-25)24(34)30-10-7-17-15-31-22-5-4-19(27)14-20(17)22/h1-6,13-15,29,31H,7-12H2,(H,30,34)(H,32,33)
InChIK	GAKCNDUXVUBJTG-UHFFFAOYSA-N
TotalMolweight	486.949
Molweight	486.949
MonoisotopicMass	486.163409
CLogP	3.3464
CLogS	-5.44
H Acceptors	6
H Donors	4
TotalSurfaceArea	361.16
Relative PSA	0.20614
PolarSurfaceArea	86.02
Druglikeness	1.7874
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	2
Amides	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide | 2 - 4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide

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