2-[(2,2-diphenylacetyl)amino]benzoic acid

C21H17NO3 — CID 4044373

IUPAC2-[(2,2-diphenylacetyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO3/c23-20(22-18-14-8-7-13-17(18)21(24)25)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25)
InChIKeyNDZQPXFPOCTXEF-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.16
Rot. Bonds5

About 2-[(2,2-diphenylacetyl)amino]benzoic acid

2-[(2,2-diphenylacetyl)amino]benzoic acid (PubChem CID 4044373) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[(2,2-diphenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2,2-diphenylacetyl)amino]benzoic acid
PubChem CID4044373
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-[(2,2-diphenylacetyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO3/c23-20(22-18-14-8-7-13-17(18)21(24)25)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25)
InChIKeyNDZQPXFPOCTXEF-UHFFFAOYSA-N
XLogP4.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diphenylacetyl)amino]benzoic acid?
The IUPAC name of 2-[(2,2-diphenylacetyl)amino]benzoic acid (CID 4044373) is 2-[(2,2-diphenylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2,2-diphenylacetyl)amino]benzoic acid?
The canonical SMILES for 2-[(2,2-diphenylacetyl)amino]benzoic acid is O=C(O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2,2-diphenylacetyl)amino]benzoic acid?
The InChIKey is NDZQPXFPOCTXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20(22-18-14-8-7-13-17(18)21(24)25)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25).
What are the key properties of 2-[(2,2-diphenylacetyl)amino]benzoic acid?
2-[(2,2-diphenylacetyl)amino]benzoic acid has a molecular weight of 331.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diphenylacetyl)amino]benzoic acid is sourced from PubChem (CID 4044373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).