3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C53H55ClF3N7O5S — CID 161457182

IUPAC3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCSc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1.O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H18F3N3O.C18H20N2O2S.C17H17ClN2O2/c19-18(20,21)16-8-5-14(11-23-16)17(25)24-15-6-3-12(4-7-15)13-2-1-9-22-10-13;1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;18-14-3-1-2-13(10-14)17(21)20-15-6-4-12(5-7-15)16-11-19-8-9-22-16/h3-8,11,13,22H,1-2,9-10H2,(H,24,25);2-9,17,19H,10-12H2,1H3,(H,20,21);1-7,10,16,19H,8-9,11H2,(H,20,21)/t13-;17-;16-/m001/s1
InChIKeyWBHRQGHGNDFKJN-URKYBPCBSA-N
MW994.58 g/mol
LogP10.39
Rot. Bonds10

About 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 161457182) has the molecular formula C53H55ClF3N7O5S and a molecular weight of 994.58 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID161457182
Molecular FormulaC53H55ClF3N7O5S
Molecular Weight994.58 g/mol
Exact Mass993.36
IUPAC Name3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCSc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1.O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H18F3N3O.C18H20N2O2S.C17H17ClN2O2/c19-18(20,21)16-8-5-14(11-23-16)17(25)24-15-6-3-12(4-7-15)13-2-1-9-22-10-13;1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;18-14-3-1-2-13(10-14)17(21)20-15-6-4-12(5-7-15)16-11-19-8-9-22-16/h3-8,11,13,22H,1-2,9-10H2,(H,24,25);2-9,17,19H,10-12H2,1H3,(H,20,21);1-7,10,16,19H,8-9,11H2,(H,20,21)/t13-;17-;16-/m001/s1
InChIKeyWBHRQGHGNDFKJN-URKYBPCBSA-N
XLogP10.39
TPSA154.74 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500994.58
LogP ≤ 510.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157374951
3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;3-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157897985
2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158370222
2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158971419
2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159445616
4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 162004668
2,6-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158020311
4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 158139948
3-chloro-N-(4-morpholin-2-ylphenyl)benzamide;5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67251748
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 159116733
2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide;4-methylsulfanyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 160558275
3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 160928265

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 161457182) is 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CSc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1.O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WBHRQGHGNDFKJN-URKYBPCBSA-N. The full InChI is InChI=1S/C18H18F3N3O.C18H20N2O2S.C17H17ClN2O2/c19-18(20,21)16-8-5-14(11-23-16)17(25)24-15-6-3-12(4-7-15)13-2-1-9-22-10-13;1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17;18-14-3-1-2-13(10-14)17(21)20-15-6-4-12(5-7-15)16-11-19-8-9-22-16/h3-8,11,13,22H,1-2,9-10H2,(H,24,25);2-9,17,19H,10-12H2,1H3,(H,20,21);1-7,10,16,19H,8-9,11H2,(H,20,21)/t13-;17-;16-/m001/s1.
What are the key properties of 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 994.58 g/mol, XLogP of 10.39, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 161457182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).