2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid

C16H13NO5 — CID 59023663

IUPAC2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H13NO5/c1-22-16(21)12-8-7-10(9-13(12)15(19)20)14(18)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyBNAZEGCZGAUQNQ-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.42
Rot. Bonds4

About 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid

2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid (PubChem CID 59023663) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
PubChem CID59023663
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H13NO5/c1-22-16(21)12-8-7-10(9-13(12)15(19)20)14(18)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyBNAZEGCZGAUQNQ-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

4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
[2,5-bis(phenylcarbamoyl)phenyl]boronic acid
CID 68783755
ethane;4-methoxycarbonylphthalic acid
CID 143938031
methyl 2-amino-4-benzamidobenzoate
CID 23466425
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid
CID 141031699
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
methyl 2-(4-benzamidoanilino)benzoate
CID 112988422

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid?
The IUPAC name of 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid (CID 59023663) is 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid?
The canonical SMILES for 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid is COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid?
The InChIKey is BNAZEGCZGAUQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-22-16(21)12-8-7-10(9-13(12)15(19)20)14(18)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid?
2-methoxycarbonyl-5-(phenylcarbamoyl)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 2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid is sourced from PubChem (CID 59023663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).