2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide

C173H150Cl3F6N9O18 — CID 159651920

IUPAC2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
SMILESCOc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccc(Cl)cc1CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccc(Cl)cc1CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1Cl.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1ccccc1F
InChIInChI=1S/2C26H21FN2O2.C25H22FNO4.2C24H21ClFNO2.C24H22ClNO3.C24H22FNO3/c27-22-13-5-4-11-21(22)26(31)29-24(16-18-8-2-1-3-9-18)25(30)17-19-10-6-14-23-20(19)12-7-15-28-23;27-23-12-5-4-11-22(23)26(31)29-24(15-18-7-2-1-3-8-18)25(30)16-19-9-6-10-20-17-28-14-13-21(19)20;26-20-11-5-4-10-19(20)25(29)27-21(15-17-7-2-1-3-8-17)22(28)16-18-9-6-12-23-24(18)31-14-13-30-23;2*1-16-11-12-19(25)14-18(16)15-23(28)22(13-17-7-3-2-4-8-17)27-24(29)20-9-5-6-10-21(20)26;1-16-6-2-3-7-18(16)15-23(28)22(14-17-10-12-19(27)13-11-17)26-24(29)20-8-4-5-9-21(20)25;1-29-23-14-8-5-11-18(23)16-22(27)21(15-17-9-3-2-4-10-17)26-24(28)19-12-6-7-13-20(19)25/h1-15,24H,16-17H2,(H,29,31);1-14,17,24H,15-16H2,(H,29,31);1-12,21H,13-16H2,(H,27,29);2*2-12,14,22H,13,15H2,1H3,(H,27,29);2-13,22,27H,14-15H2,1H3,(H,26,29);2-14,21H,15-16H2,1H3,(H,26,28)/t;;;2*22-;;/m...10../s1
InChIKeyMRRHBTNSHZZRHJ-YFHGITMBSA-N
MW2863.49 g/mol
LogP31.18
Rot. Bonds50

About 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide

2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide (PubChem CID 159651920) has the molecular formula C173H150Cl3F6N9O18 and a molecular weight of 2863.49 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
PubChem CID159651920
Molecular FormulaC173H150Cl3F6N9O18
Molecular Weight2863.49 g/mol
Exact Mass2860.01
IUPAC Name2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
SMILESCOc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccc(Cl)cc1CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccc(Cl)cc1CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1Cl.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1ccccc1F
InChIInChI=1S/2C26H21FN2O2.C25H22FNO4.2C24H21ClFNO2.C24H22ClNO3.C24H22FNO3/c27-22-13-5-4-11-21(22)26(31)29-24(16-18-8-2-1-3-9-18)25(30)17-19-10-6-14-23-20(19)12-7-15-28-23;27-23-12-5-4-11-22(23)26(31)29-24(15-18-7-2-1-3-8-18)25(30)16-19-9-6-10-20-17-28-14-13-21(19)20;26-20-11-5-4-10-19(20)25(29)27-21(15-17-7-2-1-3-8-17)22(28)16-18-9-6-12-23-24(18)31-14-13-30-23;2*1-16-11-12-19(25)14-18(16)15-23(28)22(13-17-7-3-2-4-8-17)27-24(29)20-9-5-6-10-21(20)26;1-16-6-2-3-7-18(16)15-23(28)22(14-17-10-12-19(27)13-11-17)26-24(29)20-8-4-5-9-21(20)25;1-29-23-14-8-5-11-18(23)16-22(27)21(15-17-9-3-2-4-10-17)26-24(28)19-12-6-7-13-20(19)25/h1-15,24H,16-17H2,(H,29,31);1-14,17,24H,15-16H2,(H,29,31);1-12,21H,13-16H2,(H,27,29);2*2-12,14,22H,13,15H2,1H3,(H,27,29);2-13,22,27H,14-15H2,1H3,(H,26,29);2-14,21H,15-16H2,1H3,(H,26,28)/t;;;2*22-;;/m...10../s1
InChIKeyMRRHBTNSHZZRHJ-YFHGITMBSA-N
XLogP31.18
TPSA396.89 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds50
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002863.49
LogP ≤ 531.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide (CID 159651920) is 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide is COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccc(Cl)cc1CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccc(Cl)cc1CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1F.Cc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1Cl.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide?
The InChIKey is MRRHBTNSHZZRHJ-YFHGITMBSA-N. The full InChI is InChI=1S/2C26H21FN2O2.C25H22FNO4.2C24H21ClFNO2.C24H22ClNO3.C24H22FNO3/c27-22-13-5-4-11-21(22)26(31)29-24(16-18-8-2-1-3-9-18)25(30)17-19-10-6-14-23-20(19)12-7-15-28-23;27-23-12-5-4-11-22(23)26(31)29-24(15-18-7-2-1-3-8-18)25(30)16-19-9-6-10-20-17-28-14-13-21(19)20;26-20-11-5-4-10-19(20)25(29)27-21(15-17-7-2-1-3-8-17)22(28)16-18-9-6-12-23-24(18)31-14-13-30-23;2*1-16-11-12-19(25)14-18(16)15-23(28)22(13-17-7-3-2-4-8-17)27-24(29)20-9-5-6-10-21(20)26;1-16-6-2-3-7-18(16)15-23(28)22(14-17-10-12-19(27)13-11-17)26-24(29)20-8-4-5-9-21(20)25;1-29-23-14-8-5-11-18(23)16-22(27)21(15-17-9-3-2-4-10-17)26-24(28)19-12-6-7-13-20(19)25/h1-15,24H,16-17H2,(H,29,31);1-14,17,24H,15-16H2,(H,29,31);1-12,21H,13-16H2,(H,27,29);2*2-12,14,22H,13,15H2,1H3,(H,27,29);2-13,22,27H,14-15H2,1H3,(H,26,29);2-14,21H,15-16H2,1H3,(H,26,28)/t;;;2*22-;;/m...10../s1.
What are the key properties of 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide?
2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide has a molecular weight of 2863.49 g/mol, XLogP of 31.18, 50 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[(2R)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[(2S)-4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;2-fluoro-N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide is sourced from PubChem (CID 159651920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).