2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide

C31H24ClF2N3O3 — CID 159210887

IUPAC2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)ccc1Cl
InChIInChI=1S/C31H24ClF2N3O3/c32-27-8-6-19(13-26(27)31(35)40)24-2-1-9-36-30(24)28(12-17-10-21(33)15-22(34)11-17)37-29(39)14-20-4-3-18-5-7-23(38)16-25(18)20/h1-2,4-11,13,15-16,28,38H,3,12,14H2,(H2,35,40)(H,37,39)/t28-/m0/s1
InChIKeyVKYKBKZGEFSCRC-NDEPHWFRSA-N
MW560.00 g/mol
LogP5.91
Rot. Bonds8

About 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide

2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide (PubChem CID 159210887) has the molecular formula C31H24ClF2N3O3 and a molecular weight of 560.00 g/mol. Its IUPAC name is 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
PubChem CID159210887
Molecular FormulaC31H24ClF2N3O3
Molecular Weight560.00 g/mol
Exact Mass559.15
IUPAC Name2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)ccc1Cl
InChIInChI=1S/C31H24ClF2N3O3/c32-27-8-6-19(13-26(27)31(35)40)24-2-1-9-36-30(24)28(12-17-10-21(33)15-22(34)11-17)37-29(39)14-20-4-3-18-5-7-23(38)16-25(18)20/h1-2,4-11,13,15-16,28,38H,3,12,14H2,(H2,35,40)(H,37,39)/t28-/m0/s1
InChIKeyVKYKBKZGEFSCRC-NDEPHWFRSA-N
XLogP5.91
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.00
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-(4-hydroxyphenyl)pyridine-2-carboxamide
CID 155525051
N-(2-acetamidoethyl)-6-(4-chlorophenyl)-5-(4-hydroxyphenyl)pyridine-3-carboxamide
CID 172433728
6-(4-chlorophenyl)-5-(4-hydroxyphenyl)-N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172434994
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(2-hydroxyphenyl)benzamide
CID 22641524
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(4-hydroxyphenyl)benzamide
CID 22641813
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-(3-hydroxyphenyl)benzamide
CID 22641868
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(4-hydroxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58919918
(S)-N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-hydroxyphenyl)-2-phenylethyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 58920056
N-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(4-hydroxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58921448
N-[(1S)-1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-hydroxyphenyl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide
CID 70791416
3-(5-(2-(((2,4'-Dichloro-[1,1'-biphenyl]-4-yl)amino)methyl)-3-hydroxy-5-(trifluoromethyl)phenyl)picolinamido)propanoic acid
CID 71059918
2-chloro-5-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71187510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide (CID 159210887) is 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide is NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The InChIKey is VKYKBKZGEFSCRC-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H24ClF2N3O3/c32-27-8-6-19(13-26(27)31(35)40)24-2-1-9-36-30(24)28(12-17-10-21(33)15-22(34)11-17)37-29(39)14-20-4-3-18-5-7-23(38)16-25(18)20/h1-2,4-11,13,15-16,28,38H,3,12,14H2,(H2,35,40)(H,37,39)/t28-/m0/s1.
What are the key properties of 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide?
2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide has a molecular weight of 560.00 g/mol, XLogP of 5.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 159210887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).