4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid

C19H18N2O4 — CID 45393767

IUPAC4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
SMILESCc1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1N1CCCC1=O
InChIInChI=1S/C19H18N2O4/c1-12-11-15(8-9-16(12)21-10-2-3-17(21)22)20-18(23)13-4-6-14(7-5-13)19(24)25/h4-9,11H,2-3,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyJEZVTHZJTVMXAM-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.07
Rot. Bonds4

About 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid

4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid (PubChem CID 45393767) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
PubChem CID45393767
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
SMILESCc1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1N1CCCC1=O
InChIInChI=1S/C19H18N2O4/c1-12-11-15(8-9-16(12)21-10-2-3-17(21)22)20-18(23)13-4-6-14(7-5-13)19(24)25/h4-9,11H,2-3,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyJEZVTHZJTVMXAM-UHFFFAOYSA-N
XLogP3.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 131952772
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24613478
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
6-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 43069243

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid (CID 45393767) is 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid is Cc1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1N1CCCC1=O.
What is the InChIKey of 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid?
The InChIKey is JEZVTHZJTVMXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-11-15(8-9-16(12)21-10-2-3-17(21)22)20-18(23)13-4-6-14(7-5-13)19(24)25/h4-9,11H,2-3,10H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid?
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid has a molecular weight of 338.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 45393767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).