4-[(2-phenylacetyl)amino]benzoic acid

C15H13NO3 — CID 785682

IUPAC4-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H13NO3/c17-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyVNHSSBYXYMABJC-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.57
Rot. Bonds4

About 4-[(2-phenylacetyl)amino]benzoic acid

4-[(2-phenylacetyl)amino]benzoic acid (PubChem CID 785682) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[(2-phenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-phenylacetyl)amino]benzoic acid
PubChem CID785682
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H13NO3/c17-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyVNHSSBYXYMABJC-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylacetyl)amino]benzoic acid?
The IUPAC name of 4-[(2-phenylacetyl)amino]benzoic acid (CID 785682) is 4-[(2-phenylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-phenylacetyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-phenylacetyl)amino]benzoic acid is O=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-phenylacetyl)amino]benzoic acid?
The InChIKey is VNHSSBYXYMABJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-phenylacetyl)amino]benzoic acid?
4-[(2-phenylacetyl)amino]benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylacetyl)amino]benzoic acid is sourced from PubChem (CID 785682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).