4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide

C32H26F2N2O3 — CID 149265679

IUPAC4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C32H26F2N2O3/c33-25-13-19(14-26(34)17-25)12-24(16-28(38)15-23-8-5-21-9-10-27(37)18-30(21)23)31-29(2-1-11-36-31)20-3-6-22(7-4-20)32(35)39/h1-4,6-11,13-14,17-18,24,37H,5,12,15-16H2,(H2,35,39)/t24-/m1/s1
InChIKeyXQCFHZOCBFHBFL-XMMPIXPASA-N
MW524.57 g/mol
LogP6.15
Rot. Bonds9

About 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide

4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide (PubChem CID 149265679) has the molecular formula C32H26F2N2O3 and a molecular weight of 524.57 g/mol. Its IUPAC name is 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide
PubChem CID149265679
Molecular FormulaC32H26F2N2O3
Molecular Weight524.57 g/mol
Exact Mass524.19
IUPAC Name4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C32H26F2N2O3/c33-25-13-19(14-26(34)17-25)12-24(16-28(38)15-23-8-5-21-9-10-27(37)18-30(21)23)31-29(2-1-11-36-31)20-3-6-22(7-4-20)32(35)39/h1-4,6-11,13-14,17-18,24,37H,5,12,15-16H2,(H2,35,39)/t24-/m1/s1
InChIKeyXQCFHZOCBFHBFL-XMMPIXPASA-N
XLogP6.15
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.57
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmethyl)amino]methyl}benzamide
CID 25159049
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
5-(2-Fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 24811199
5-(6-Fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 24811550
4-[1-(3,5-Difluoro-4-hydroxyphenyl)-3-(4-methoxyphenyl)pyrrol-2-yl]-3-methylbenzamide
CID 46179656
5-(2-Fluoropyridin-3-yl)-2-(3-(4''-hydroxybiphenyl-4-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 46890401
N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
CID 134475022
4-[(3-Hydroxy-4-pyridin-2-yl-benzylamino)-methylene]-6-iodo-4H-isoquinoline-1,3-dione
CID 135863111
4-[(3-Hydroxy-4-pyridin-3-yl-benzylamino)-methylene]-6-iodo-4H-isoquinoline-1,3-dione
CID 135875619
[16-(4-Hydroxy-2-methylphenyl)-16-oxohexadecyl]-diphenyl-pyridin-2-ylphosphanium bromide
CID 155520486
2-(3-(6-Hydroxynaphthalen-2-yl)propanamido)-5-(6-(trifluoromethyl)pyridin-3-yl)cyclohex-1-enecarboxylic acid
CID 46890328
4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide
CID 122186028

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide (CID 149265679) is 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide?
The InChIKey is XQCFHZOCBFHBFL-XMMPIXPASA-N. The full InChI is InChI=1S/C32H26F2N2O3/c33-25-13-19(14-26(34)17-25)12-24(16-28(38)15-23-8-5-21-9-10-27(37)18-30(21)23)31-29(2-1-11-36-31)20-3-6-22(7-4-20)32(35)39/h1-4,6-11,13-14,17-18,24,37H,5,12,15-16H2,(H2,35,39)/t24-/m1/s1.
What are the key properties of 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide?
4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide has a molecular weight of 524.57 g/mol, XLogP of 6.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 149265679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).