3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid

C35H28N2O4 — CID 2261290

IUPAC3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C35H28N2O4/c38-33(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)36-29-21-28(35(40)41)22-30(23-29)37-34(39)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23,31-32H,(H,36,38)(H,37,39)(H,40,41)
InChIKeyMYOZSRODPCAOHM-UHFFFAOYSA-N
MW540.62 g/mol
LogP6.93
Rot. Bonds9

About 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid

3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid (PubChem CID 2261290) has the molecular formula C35H28N2O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
PubChem CID2261290
Molecular FormulaC35H28N2O4
Molecular Weight540.62 g/mol
Exact Mass540.20
IUPAC Name3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C35H28N2O4/c38-33(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)36-29-21-28(35(40)41)22-30(23-29)37-34(39)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23,31-32H,(H,36,38)(H,37,39)(H,40,41)
InChIKeyMYOZSRODPCAOHM-UHFFFAOYSA-N
XLogP6.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 45428443
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide
CID 27892566
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide
CID 4641253
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-3-oxo-2-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 3394738
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid?
The IUPAC name of 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid (CID 2261290) is 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid.
What is the SMILES notation for 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid?
The canonical SMILES for 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid is O=C(O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid?
The InChIKey is MYOZSRODPCAOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O4/c38-33(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)36-29-21-28(35(40)41)22-30(23-29)37-34(39)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23,31-32H,(H,36,38)(H,37,39)(H,40,41).
What are the key properties of 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid?
3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid has a molecular weight of 540.62 g/mol, XLogP of 6.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid is sourced from PubChem (CID 2261290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).