2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid

C24H23NO3 — CID 67342308

IUPAC2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(CCc3ccccc3)ccc2C(=O)O)cc1C
InChIInChI=1S/C24H23NO3/c1-16-8-12-20(14-17(16)2)23(26)25-22-15-19(11-13-21(22)24(27)28)10-9-18-6-4-3-5-7-18/h3-8,11-15H,9-10H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyQYBMPPUSFWYYTH-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.04
Rot. Bonds6

About 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid

2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid (PubChem CID 67342308) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid
PubChem CID67342308
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(CCc3ccccc3)ccc2C(=O)O)cc1C
InChIInChI=1S/C24H23NO3/c1-16-8-12-20(14-17(16)2)23(26)25-22-15-19(11-13-21(22)24(27)28)10-9-18-6-4-3-5-7-18/h3-8,11-15H,9-10H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyQYBMPPUSFWYYTH-UHFFFAOYSA-N
XLogP5.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67343164
2-[(3-fluorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67344319
N-[2-methyl-5-(2-phenylethyl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide;4-(2-phenylethyl)-2-[(6-piperidin-1-ylpyridine-3-carbonyl)amino]benzoic acid
CID 160716851
2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67344362
5-[[3-carboxy-4-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]-2-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 59271152
2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
N-[2-methyl-5-(2-phenylethyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-(2-phenylethyl)-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 91442408
2-(2-methylanilino)-4-(2-phenylethyl)benzoic acid
CID 68963998
4-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzoic acid
CID 67344551
2-(2,4-dimethylanilino)-4-(2-phenylethyl)benzoic acid
CID 68957315
2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
CID 22675489
3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3884704

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The IUPAC name of 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid (CID 67342308) is 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid.
What is the SMILES notation for 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The canonical SMILES for 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid is Cc1ccc(C(=O)Nc2cc(CCc3ccccc3)ccc2C(=O)O)cc1C.
What is the InChIKey of 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The InChIKey is QYBMPPUSFWYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-16-8-12-20(14-17(16)2)23(26)25-22-15-19(11-13-21(22)24(27)28)10-9-18-6-4-3-5-7-18/h3-8,11-15H,9-10H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid has a molecular weight of 373.45 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid is sourced from PubChem (CID 67342308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).