5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide

C39H34ClN3O3 — CID 159321115

IUPAC5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.C[C@H](NC(=O)c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C24H20N2O.C15H14ClNO2/c1-17(18-10-4-2-5-11-18)25-24(27)21-16-23(19-12-6-3-7-13-19)26-22-15-9-8-14-20(21)22;1-10(11-5-3-2-4-6-11)17-15(19)13-9-12(16)7-8-14(13)18/h2-17H,1H3,(H,25,27);2-10,18H,1H3,(H,17,19)/t17-;10-/m00/s1
InChIKeyLDTUDZMSYZGNRQ-AKTVYDGUSA-N
MW628.17 g/mol
LogP8.93
Rot. Bonds7

About 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide

5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide (PubChem CID 159321115) has the molecular formula C39H34ClN3O3 and a molecular weight of 628.17 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
PubChem CID159321115
Molecular FormulaC39H34ClN3O3
Molecular Weight628.17 g/mol
Exact Mass627.23
IUPAC Name5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.C[C@H](NC(=O)c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C24H20N2O.C15H14ClNO2/c1-17(18-10-4-2-5-11-18)25-24(27)21-16-23(19-12-6-3-7-13-19)26-22-15-9-8-14-20(21)22;1-10(11-5-3-2-4-6-11)17-15(19)13-9-12(16)7-8-14(13)18/h2-17H,1H3,(H,25,27);2-10,18H,1H3,(H,17,19)/t17-;10-/m00/s1
InChIKeyLDTUDZMSYZGNRQ-AKTVYDGUSA-N
XLogP8.93
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.17
LogP ≤ 58.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2327988
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 18871547
N-[2-(benzhydrylamino)-1-(2,4-dichlorophenyl)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 3313797
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide (CID 159321115) is 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide is C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.C[C@H](NC(=O)c1cc(Cl)ccc1O)c1ccccc1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The InChIKey is LDTUDZMSYZGNRQ-AKTVYDGUSA-N. The full InChI is InChI=1S/C24H20N2O.C15H14ClNO2/c1-17(18-10-4-2-5-11-18)25-24(27)21-16-23(19-12-6-3-7-13-19)26-22-15-9-8-14-20(21)22;1-10(11-5-3-2-4-6-11)17-15(19)13-9-12(16)7-8-14(13)18/h2-17H,1H3,(H,25,27);2-10,18H,1H3,(H,17,19)/t17-;10-/m00/s1.
What are the key properties of 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide has a molecular weight of 628.17 g/mol, XLogP of 8.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 159321115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).