2-[2-(4-chlorophenyl)ethylamino]benzoic acid

C15H14ClNO2 — CID 7721337

IUPAC2-[2-(4-chlorophenyl)ethylamino]benzoic acid
SMILESO=C(O)c1ccccc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChIKeyKNCYBGUGQJEWTB-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.69
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]benzoic acid

2-[2-(4-chlorophenyl)ethylamino]benzoic acid (PubChem CID 7721337) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]benzoic acid
PubChem CID7721337
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]benzoic acid
SMILESO=C(O)c1ccccc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChIKeyKNCYBGUGQJEWTB-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-chlorophenyl)ethylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mefenamic Acid
CID 4044
Meclofenamate Sodium
CID 4038
Meclofenamic Acid
CID 4037
Tolfenamic Acid
CID 610479
N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
2-(Benzoylamino)benzoic acid
CID 68482
N-(2-carboxyphenyl)glycine
CID 69161
Lobenzarit Sodium
CID 47462
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-Amino-4-chlorobenzoic acid
CID 66646
2-(Methylamino)benzoic acid
CID 67069

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]benzoic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]benzoic acid (CID 7721337) is 2-[2-(4-chlorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]benzoic acid is O=C(O)c1ccccc1NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]benzoic acid?
The InChIKey is KNCYBGUGQJEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]benzoic acid?
2-[2-(4-chlorophenyl)ethylamino]benzoic acid has a molecular weight of 275.74 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 7721337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).