2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid

C22H18ClNO3 — CID 67344362

IUPAC2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
SMILESO=C(Nc1cc(CCc2ccccc2)ccc1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C22H18ClNO3/c23-19-9-5-4-8-17(19)21(25)24-20-14-16(12-13-18(20)22(26)27)11-10-15-6-2-1-3-7-15/h1-9,12-14H,10-11H2,(H,24,25)(H,26,27)
InChIKeyGORJPLUHQLUQNH-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.08
Rot. Bonds6

About 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid

2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid (PubChem CID 67344362) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
PubChem CID67344362
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
SMILESO=C(Nc1cc(CCc2ccccc2)ccc1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C22H18ClNO3/c23-19-9-5-4-8-17(19)21(25)24-20-14-16(12-13-18(20)22(26)27)11-10-15-6-2-1-3-7-15/h1-9,12-14H,10-11H2,(H,24,25)(H,26,27)
InChIKeyGORJPLUHQLUQNH-UHFFFAOYSA-N
XLogP5.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.08
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
4-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzoic acid
CID 67344551
2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67342308
2-[(3-fluorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67344319
2-(4-chloroanilino)-4-(2-phenylethyl)benzoic acid
CID 68959417
2-(1,3-benzothiazole-2-carbonylamino)-4-(2-phenylethyl)benzoic acid
CID 67342631
2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67342372
2-(2-methylanilino)-4-(2-phenylethyl)benzoic acid
CID 68963998
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
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
2-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]benzoic acid
CID 22269838
calcium;2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]benzoic acid;hydride
CID 173213625

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid (CID 67344362) is 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid is O=C(Nc1cc(CCc2ccccc2)ccc1C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The InChIKey is GORJPLUHQLUQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-19-9-5-4-8-17(19)21(25)24-20-14-16(12-13-18(20)22(26)27)11-10-15-6-2-1-3-7-15/h1-9,12-14H,10-11H2,(H,24,25)(H,26,27).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid has a molecular weight of 379.84 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid is sourced from PubChem (CID 67344362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).