2-[(4-benzamidobenzoyl)amino]acetic acid

C16H14N2O4 — CID 5254478

IUPAC2-[(4-benzamidobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O4/c19-14(20)10-17-15(21)12-6-8-13(9-7-12)18-16(22)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)(H,18,22)(H,19,20)
InChIKeyHPKMDTLAURFRHS-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.75
Rot. Bonds5

About 2-[(4-benzamidobenzoyl)amino]acetic acid

2-[(4-benzamidobenzoyl)amino]acetic acid (PubChem CID 5254478) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[(4-benzamidobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-benzamidobenzoyl)amino]acetic acid
PubChem CID5254478
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-[(4-benzamidobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O4/c19-14(20)10-17-15(21)12-6-8-13(9-7-12)18-16(22)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)(H,18,22)(H,19,20)
InChIKeyHPKMDTLAURFRHS-UHFFFAOYSA-N
XLogP1.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzamidobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(4-benzamidobenzoyl)amino]acetic acid (CID 5254478) is 2-[(4-benzamidobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-benzamidobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(4-benzamidobenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-benzamidobenzoyl)amino]acetic acid?
The InChIKey is HPKMDTLAURFRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-14(20)10-17-15(21)12-6-8-13(9-7-12)18-16(22)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 2-[(4-benzamidobenzoyl)amino]acetic acid?
2-[(4-benzamidobenzoyl)amino]acetic acid has a molecular weight of 298.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzamidobenzoyl)amino]acetic acid is sourced from PubChem (CID 5254478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).