2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid

C16H13NO5 — CID 746419

IUPAC2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C16H13NO5/c1-22-16(21)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)15(19)20/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyNZHWBDQGSVBUKB-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.42
Rot. Bonds4

About 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid

2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid (PubChem CID 746419) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
PubChem CID746419
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C16H13NO5/c1-22-16(21)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)15(19)20/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyNZHWBDQGSVBUKB-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 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
2-[(3-prop-1-en-2-ylphenyl)carbamoyl]benzoic acid
CID 118900341
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
2-[(3-ethanimidoylphenyl)carbamoyl]benzoic acid
CID 118900222
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 43422875
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid (CID 746419) is 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid is COC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid?
The InChIKey is NZHWBDQGSVBUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-22-16(21)10-5-4-6-11(9-10)17-14(18)12-7-2-3-8-13(12)15(19)20/h2-9H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid?
2-[(3-methoxycarbonylphenyl)carbamoyl]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-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 746419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).