2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid

C16H13NO5 — CID 102378800

IUPAC2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)C(=O)O)cc1
InChIInChI=1S/C16H13NO5/c1-22-11-8-6-10(7-9-11)15(19)17-13-5-3-2-4-12(13)14(18)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChIKeyCUSHGGMMFNDWES-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.21
Rot. Bonds5

About 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid

2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid (PubChem CID 102378800) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
PubChem CID102378800
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)C(=O)O)cc1
InChIInChI=1S/C16H13NO5/c1-22-11-8-6-10(7-9-11)15(19)17-13-5-3-2-4-12(13)14(18)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChIKeyCUSHGGMMFNDWES-UHFFFAOYSA-N
XLogP2.21
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
CID 4524744
2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide
CID 55524183
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
4-methoxy-N-[2-[[2-[(4-methoxybenzoyl)amino]phenyl]ditellanyl]phenyl]benzamide
CID 135052422
N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126001886
N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid?
The IUPAC name of 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid (CID 102378800) is 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid is COc1ccc(C(=O)Nc2ccccc2C(=O)C(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid?
The InChIKey is CUSHGGMMFNDWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-22-11-8-6-10(7-9-11)15(19)17-13-5-3-2-4-12(13)14(18)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid?
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid has a molecular weight of 299.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid is sourced from PubChem (CID 102378800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).