2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid

C23H20N2O4 — CID 143234447

IUPAC2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
SMILESO=NCc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1
InChIInChI=1S/C23H20N2O4/c26-22(25-21-7-2-1-6-20(21)23(27)28)13-10-16-8-11-18(12-9-16)19-5-3-4-17(14-19)15-24-29/h1-9,11-12,14H,10,13,15H2,(H,25,26)(H,27,28)
InChIKeyGJQCCJLXXMXTFS-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.89
Rot. Bonds8

About 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid

2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid (PubChem CID 143234447) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
PubChem CID143234447
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
SMILESO=NCc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1
InChIInChI=1S/C23H20N2O4/c26-22(25-21-7-2-1-6-20(21)23(27)28)13-10-16-8-11-18(12-9-16)19-5-3-4-17(14-19)15-24-29/h1-9,11-12,14H,10,13,15H2,(H,25,26)(H,27,28)
InChIKeyGJQCCJLXXMXTFS-UHFFFAOYSA-N
XLogP4.89
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]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-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11710202
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
2-[3-[4-[3-[3-[4-[[2-(2-carboxyanilino)-2-oxoethyl]-methylsulfamoyl]phenyl]phenyl]phenyl]phenyl]propanoylamino]benzoic acid
CID 143003483
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid
CID 146620003
2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11523335
4-[3-[4-(3-aminophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid
CID 89378211
2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene
CID 143234395
2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid
CID 11610260
4-bromo-2-(3-phenylpropanoylamino)benzoic acid
CID 60915838

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid (CID 143234447) is 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid is O=NCc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1.
What is the InChIKey of 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid?
The InChIKey is GJQCCJLXXMXTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(25-21-7-2-1-6-20(21)23(27)28)13-10-16-8-11-18(12-9-16)19-5-3-4-17(14-19)15-24-29/h1-9,11-12,14H,10,13,15H2,(H,25,26)(H,27,28).
What are the key properties of 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid?
2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid is sourced from PubChem (CID 143234447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).