3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C57H62Cl2F3N7O4 — CID 157131665

IUPAC3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl.O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/2C19H21ClN2O.C19H20F3N3O2/c1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16;1-13-4-5-15(11-18(13)20)19(23)22-17-8-6-14(7-9-17)16-3-2-10-21-12-16;20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h2*4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23);3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t2*16-;14-/m111/s1
InChIKeyAJDMNMTVZIJPRD-CLXJIYMASA-N
MW1037.07 g/mol
LogP12.48
Rot. Bonds11

About 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 157131665) has the molecular formula C57H62Cl2F3N7O4 and a molecular weight of 1037.07 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID157131665
Molecular FormulaC57H62Cl2F3N7O4
Molecular Weight1037.07 g/mol
Exact Mass1035.42
IUPAC Name3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl.O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/2C19H21ClN2O.C19H20F3N3O2/c1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16;1-13-4-5-15(11-18(13)20)19(23)22-17-8-6-14(7-9-17)16-3-2-10-21-12-16;20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h2*4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23);3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t2*16-;14-/m111/s1
InChIKeyAJDMNMTVZIJPRD-CLXJIYMASA-N
XLogP12.48
TPSA145.51 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.07
LogP ≤ 512.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R)-4-[4-chloro-2-(trifluoromethyl)benzoyl]-2-ethylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-5-(2-ethoxypyridin-3-yl)benzamide
CID 146361256
N-(2-aminoethyl)-2-[(2R)-4-[4-chloro-2-(trifluoromethyl)benzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxypyridin-3-yl)benzamide
CID 146361312
6-[(2R)-4-[4-chloro-2-(trifluoromethyl)benzoyl]-2-ethylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyridin-3-yl)-2-fluorobenzamide
CID 146361524
2-[(2R)-4-[4-chloro-2-(trifluoromethyl)benzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxypyridin-3-yl)-N-[2-(methylamino)ethyl]benzamide
CID 146361526
N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 58768998
N-[3,3-bis(3-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 58769023
6-[3-[[4-Chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]pyridine-3-carboxamide
CID 60082867
N-[4-(4-chlorophenyl)-2-[(1-ethylpiperidin-3-yl)methylcarbamoyl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 69567279
N-[4-(4-chlorophenyl)-2-[[(3R)-piperidin-3-yl]methylcarbamoyl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 69568078
6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 86303502
2-chloro-N-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-3-methyl-2-pyridinyl]oxymethyl]-5-fluorophenyl]-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 123491085
N-[5-[2-chloro-5-(cyclohexylcarbamoyl)phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)-6-(2-trimethylsilylethoxy)pyridine-3-carboxamide
CID 141655758

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 157131665) is 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl.O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is AJDMNMTVZIJPRD-CLXJIYMASA-N. The full InChI is InChI=1S/2C19H21ClN2O.C19H20F3N3O2/c1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16;1-13-4-5-15(11-18(13)20)19(23)22-17-8-6-14(7-9-17)16-3-2-10-21-12-16;20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h2*4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23);3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t2*16-;14-/m111/s1.
What are the key properties of 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 1037.07 g/mol, XLogP of 12.48, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 157131665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).