2-(3-chloro-2-phenylanilino)benzoic acid

C19H14ClNO2 — CID 146019236

IUPAC2-(3-chloro-2-phenylanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1
InChIInChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)
InChIKeyTZKVOTHQTFDACW-UHFFFAOYSA-N
MW323.78 g/mol
LogP5.45
Rot. Bonds4

About 2-(3-chloro-2-phenylanilino)benzoic acid

2-(3-chloro-2-phenylanilino)benzoic acid (PubChem CID 146019236) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(3-chloro-2-phenylanilino)benzoic acid.

Molecular Properties

Compound Name2-(3-chloro-2-phenylanilino)benzoic acid
PubChem CID146019236
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name2-(3-chloro-2-phenylanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1
InChIInChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)
InChIKeyTZKVOTHQTFDACW-UHFFFAOYSA-N
XLogP5.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.78
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-phenylanilino)benzoic acid?
The IUPAC name of 2-(3-chloro-2-phenylanilino)benzoic acid (CID 146019236) is 2-(3-chloro-2-phenylanilino)benzoic acid.
What is the SMILES notation for 2-(3-chloro-2-phenylanilino)benzoic acid?
The canonical SMILES for 2-(3-chloro-2-phenylanilino)benzoic acid is O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1.
What is the InChIKey of 2-(3-chloro-2-phenylanilino)benzoic acid?
The InChIKey is TZKVOTHQTFDACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23).
What are the key properties of 2-(3-chloro-2-phenylanilino)benzoic acid?
2-(3-chloro-2-phenylanilino)benzoic acid has a molecular weight of 323.78 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-phenylanilino)benzoic acid is sourced from PubChem (CID 146019236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).