4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid

C25H22N2O5 — CID 70366402

IUPAC4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
SMILESCOc1cc(C2CC(=O)N(c3ccc(NC(=O)c4ccccc4)cc3)C2)ccc1C(=O)O
InChIInChI=1S/C25H22N2O5/c1-32-22-13-17(7-12-21(22)25(30)31)18-14-23(28)27(15-18)20-10-8-19(9-11-20)26-24(29)16-5-3-2-4-6-16/h2-13,18H,14-15H2,1H3,(H,26,29)(H,30,31)
InChIKeyMQGGBZSBGJHMLQ-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.17
Rot. Bonds6

About 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid

4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid (PubChem CID 70366402) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
PubChem CID70366402
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
SMILESCOc1cc(C2CC(=O)N(c3ccc(NC(=O)c4ccccc4)cc3)C2)ccc1C(=O)O
InChIInChI=1S/C25H22N2O5/c1-32-22-13-17(7-12-21(22)25(30)31)18-14-23(28)27(15-18)20-10-8-19(9-11-20)26-24(29)16-5-3-2-4-6-16/h2-13,18H,14-15H2,1H3,(H,26,29)(H,30,31)
InChIKeyMQGGBZSBGJHMLQ-UHFFFAOYSA-N
XLogP4.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
CID 19002271
1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 22116008
4-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
CID 70366410
4-[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
CID 70366363
2-methoxy-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168708541
N-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 144706065
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
(3S)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42588888
1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 14537163
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid?
The IUPAC name of 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid (CID 70366402) is 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid is COc1cc(C2CC(=O)N(c3ccc(NC(=O)c4ccccc4)cc3)C2)ccc1C(=O)O.
What is the InChIKey of 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid?
The InChIKey is MQGGBZSBGJHMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-32-22-13-17(7-12-21(22)25(30)31)18-14-23(28)27(15-18)20-10-8-19(9-11-20)26-24(29)16-5-3-2-4-6-16/h2-13,18H,14-15H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid?
4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid has a molecular weight of 430.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid is sourced from PubChem (CID 70366402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).