3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid

C16H13NO5 — CID 45425987

IUPAC3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C16H13NO5/c1-22-16(21)11-7-5-10(6-8-11)14(18)17-13-4-2-3-12(9-13)15(19)20/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyRWNXNQIBYRJJLA-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.42
Rot. Bonds4

About 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid

3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid (PubChem CID 45425987) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
PubChem CID45425987
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C16H13NO5/c1-22-16(21)11-7-5-10(6-8-11)14(18)17-13-4-2-3-12(9-13)15(19)20/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyRWNXNQIBYRJJLA-UHFFFAOYSA-N
XLogP2.42
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
3-[[4-(2,2-dimethylpropanoyl)benzoyl]amino]benzoic acid
CID 18949195
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
3-[[2-(4-methoxycarbonylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 5009646
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid (CID 45425987) is 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid is COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid?
The InChIKey is RWNXNQIBYRJJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-22-16(21)11-7-5-10(6-8-11)14(18)17-13-4-2-3-12(9-13)15(19)20/h2-9H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid?
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 45425987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).