2-[(3-acetamidobenzoyl)amino]benzoic acid

C16H14N2O4 — CID 869636

IUPAC2-[(3-acetamidobenzoyl)amino]benzoic acid
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H14N2O4/c1-10(19)17-12-6-4-5-11(9-12)15(20)18-14-8-3-2-7-13(14)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyXVWHMESQWYWPJX-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.60
Rot. Bonds4

About 2-[(3-acetamidobenzoyl)amino]benzoic acid

2-[(3-acetamidobenzoyl)amino]benzoic acid (PubChem CID 869636) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[(3-acetamidobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-acetamidobenzoyl)amino]benzoic acid
PubChem CID869636
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-[(3-acetamidobenzoyl)amino]benzoic acid
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H14N2O4/c1-10(19)17-12-6-4-5-11(9-12)15(20)18-14-8-3-2-7-13(14)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyXVWHMESQWYWPJX-UHFFFAOYSA-N
XLogP2.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamidobenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-acetamidobenzoyl)amino]benzoic acid (CID 869636) is 2-[(3-acetamidobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-acetamidobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-acetamidobenzoyl)amino]benzoic acid is CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-acetamidobenzoyl)amino]benzoic acid?
The InChIKey is XVWHMESQWYWPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10(19)17-12-6-4-5-11(9-12)15(20)18-14-8-3-2-7-13(14)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[(3-acetamidobenzoyl)amino]benzoic acid?
2-[(3-acetamidobenzoyl)amino]benzoic acid has a molecular weight of 298.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamidobenzoyl)amino]benzoic acid is sourced from PubChem (CID 869636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).