3-benzyl-2-(2-chloroanilino)benzoic acid

C20H16ClNO2 — CID 68614231

IUPAC3-benzyl-2-(2-chloroanilino)benzoic acid
SMILESO=C(O)c1cccc(Cc2ccccc2)c1Nc1ccccc1Cl
InChIInChI=1S/C20H16ClNO2/c21-17-11-4-5-12-18(17)22-19-15(9-6-10-16(19)20(23)24)13-14-7-2-1-3-8-14/h1-12,22H,13H2,(H,23,24)
InChIKeyPYCIKFMNLDAZLD-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.37
Rot. Bonds5

About 3-benzyl-2-(2-chloroanilino)benzoic acid

3-benzyl-2-(2-chloroanilino)benzoic acid (PubChem CID 68614231) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-benzyl-2-(2-chloroanilino)benzoic acid.

Molecular Properties

Compound Name3-benzyl-2-(2-chloroanilino)benzoic acid
PubChem CID68614231
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name3-benzyl-2-(2-chloroanilino)benzoic acid
SMILESO=C(O)c1cccc(Cc2ccccc2)c1Nc1ccccc1Cl
InChIInChI=1S/C20H16ClNO2/c21-17-11-4-5-12-18(17)22-19-15(9-6-10-16(19)20(23)24)13-14-7-2-1-3-8-14/h1-12,22H,13H2,(H,23,24)
InChIKeyPYCIKFMNLDAZLD-UHFFFAOYSA-N
XLogP5.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
3-(2-chloroanilino)-2-nitrobenzoic acid
CID 115542075
N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
CID 23019985
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
3-bromo-5-chloro-2-(2-chloroanilino)benzoic acid
CID 165363155
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2-chloroanilino)benzoic acid?
The IUPAC name of 3-benzyl-2-(2-chloroanilino)benzoic acid (CID 68614231) is 3-benzyl-2-(2-chloroanilino)benzoic acid.
What is the SMILES notation for 3-benzyl-2-(2-chloroanilino)benzoic acid?
The canonical SMILES for 3-benzyl-2-(2-chloroanilino)benzoic acid is O=C(O)c1cccc(Cc2ccccc2)c1Nc1ccccc1Cl.
What is the InChIKey of 3-benzyl-2-(2-chloroanilino)benzoic acid?
The InChIKey is PYCIKFMNLDAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-17-11-4-5-12-18(17)22-19-15(9-6-10-16(19)20(23)24)13-14-7-2-1-3-8-14/h1-12,22H,13H2,(H,23,24).
What are the key properties of 3-benzyl-2-(2-chloroanilino)benzoic acid?
3-benzyl-2-(2-chloroanilino)benzoic acid has a molecular weight of 337.81 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2-chloroanilino)benzoic acid is sourced from PubChem (CID 68614231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).