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

C23H21NO3 — CID 11523335

IUPAC2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid
SMILESCc1ccccc1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H21NO3/c1-16-6-2-3-7-19(16)18-13-10-17(11-14-18)12-15-22(25)24-21-9-5-4-8-20(21)23(26)27/h2-11,13-14H,12,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyVKCIGBKESIDUAE-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.93
Rot. Bonds6

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

2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid (PubChem CID 11523335) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid
PubChem CID11523335
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid
SMILESCc1ccccc1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H21NO3/c1-16-6-2-3-7-19(16)18-13-10-17(11-14-18)12-15-22(25)24-21-9-5-4-8-20(21)23(26)27/h2-11,13-14H,12,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyVKCIGBKESIDUAE-UHFFFAOYSA-N
XLogP4.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
2-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11710202
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid
CID 11610260
2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
CID 143234447
4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane
CID 143234356
3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid
CID 146620003
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
2-[3-[4-[3-[3-[4-[[2-(2-carboxyanilino)-2-oxoethyl]-methylsulfamoyl]phenyl]phenyl]phenyl]phenyl]propanoylamino]benzoic acid
CID 143003483
(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol;2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 175729912
2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 70637125

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid (CID 11523335) is 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid is Cc1ccccc1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid?
The InChIKey is VKCIGBKESIDUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-6-2-3-7-19(16)18-13-10-17(11-14-18)12-15-22(25)24-21-9-5-4-8-20(21)23(26)27/h2-11,13-14H,12,15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid?
2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid has a molecular weight of 359.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid is sourced from PubChem (CID 11523335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).