3-[2-(4-chlorophenyl)ethylamino]benzoic acid

C15H14ClNO2 — CID 82538719

IUPAC3-[2-(4-chlorophenyl)ethylamino]benzoic acid
SMILESO=C(O)c1cccc(NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO2/c16-13-6-4-11(5-7-13)8-9-17-14-3-1-2-12(10-14)15(18)19/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyCCEUYAGHBDZUSZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.69
Rot. Bonds5

About 3-[2-(4-chlorophenyl)ethylamino]benzoic acid

3-[2-(4-chlorophenyl)ethylamino]benzoic acid (PubChem CID 82538719) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]benzoic acid
PubChem CID82538719
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]benzoic acid
SMILESO=C(O)c1cccc(NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO2/c16-13-6-4-11(5-7-13)8-9-17-14-3-1-2-12(10-14)15(18)19/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyCCEUYAGHBDZUSZ-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

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Related Compounds

3-(2-phenylethylamino)benzoic acid
CID 43139401
3-[2-(4-chlorophenoxy)ethylamino]benzoic acid
CID 82096042
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
3-[(5-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 43321865
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
3-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]benzoic acid
CID 22269699
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
3-[2-(3-nitroanilino)ethyl]benzoic acid
CID 63794948
3-(5-hydroxypentylamino)benzoic acid
CID 107319684
3-[[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]methylamino]benzoic acid
CID 155524951
3-(2-pyridin-4-ylethylamino)benzamide
CID 107811285
3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
CID 55236658

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]benzoic acid?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]benzoic acid (CID 82538719) is 3-[2-(4-chlorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]benzoic acid is O=C(O)c1cccc(NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]benzoic acid?
The InChIKey is CCEUYAGHBDZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-6-4-11(5-7-13)8-9-17-14-3-1-2-12(10-14)15(18)19/h1-7,10,17H,8-9H2,(H,18,19).
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]benzoic acid?
3-[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 3-[2-(4-chlorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 82538719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).