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

C22H18ClNO3 — CID 67343164

IUPAC2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
SMILESO=C(Nc1cc(CCc2ccccc2)ccc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClNO3/c23-18-8-4-7-17(14-18)21(25)24-20-13-16(11-12-19(20)22(26)27)10-9-15-5-2-1-3-6-15/h1-8,11-14H,9-10H2,(H,24,25)(H,26,27)
InChIKeyWSHOXRWMYMTCFO-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.08
Rot. Bonds6

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

2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid (PubChem CID 67343164) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
PubChem CID67343164
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
SMILESO=C(Nc1cc(CCc2ccccc2)ccc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClNO3/c23-18-8-4-7-17(14-18)21(25)24-20-13-16(11-12-19(20)22(26)27)10-9-15-5-2-1-3-6-15/h1-8,11-14H,9-10H2,(H,24,25)(H,26,27)
InChIKeyWSHOXRWMYMTCFO-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-fluorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67344319
2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67344362
2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67342308
2-(4-chloroanilino)-4-(2-phenylethyl)benzoic acid
CID 68959417
4-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzoic acid
CID 67344551
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
2-benzamido-4-(phenoxymethyl)benzoic acid
CID 69330554
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-(1,3-benzothiazole-2-carbonylamino)-4-(2-phenylethyl)benzoic acid
CID 67342631
2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
CID 82546564
2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67342372

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid (CID 67343164) is 2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid is O=C(Nc1cc(CCc2ccccc2)ccc1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
The InChIKey is WSHOXRWMYMTCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-18-8-4-7-17(14-18)21(25)24-20-13-16(11-12-19(20)22(26)27)10-9-15-5-2-1-3-6-15/h1-8,11-14H,9-10H2,(H,24,25)(H,26,27).
What are the key properties of 2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid?
2-[(3-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-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid is sourced from PubChem (CID 67343164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).