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

C54H51Cl2F2N7O6S — CID 159116733

IUPAC4-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
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(-c2ccccc2)s1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1F.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C20H19N3O2S.2C17H16ClFN2O2/c24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17;2*18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-9,13,17,21H,10-12H2,(H,23,24);2*1-6,9,16,20H,7-8,10H2,(H,21,22)/t;2*16-/m.10/s1
InChIKeyKFEJMLGXBPGULL-KCNXTTGMSA-N
MW1035.01 g/mol
LogP10.51
Rot. Bonds10

About 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

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 (PubChem CID 159116733) has the molecular formula C54H51Cl2F2N7O6S and a molecular weight of 1035.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159116733
Molecular FormulaC54H51Cl2F2N7O6S
Molecular Weight1035.01 g/mol
Exact Mass1033.30
IUPAC Name4-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
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(-c2ccccc2)s1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1F.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C20H19N3O2S.2C17H16ClFN2O2/c24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17;2*18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-9,13,17,21H,10-12H2,(H,23,24);2*1-6,9,16,20H,7-8,10H2,(H,21,22)/t;2*16-/m.10/s1
InChIKeyKFEJMLGXBPGULL-KCNXTTGMSA-N
XLogP10.51
TPSA163.97 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001035.01
LogP ≤ 510.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 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 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

N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 159882476
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(-c2ccccc2)s1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1F.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 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?
The InChIKey is KFEJMLGXBPGULL-KCNXTTGMSA-N. The full InChI is InChI=1S/C20H19N3O2S.2C17H16ClFN2O2/c24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17;2*18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-9,13,17,21H,10-12H2,(H,23,24);2*1-6,9,16,20H,7-8,10H2,(H,21,22)/t;2*16-/m.10/s1.
What are the key properties of 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?
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 has a molecular weight of 1035.01 g/mol, XLogP of 10.51, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159116733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).