5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid

C15H14ClNO3 — CID 142689339

IUPAC5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NCCc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C15H14ClNO3/c16-11-3-1-2-10(8-11)6-7-17-12-4-5-14(18)13(9-12)15(19)20/h1-5,8-9,17-18H,6-7H2,(H,19,20)
InChIKeyOUPUHGPGTYRLJN-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.40
Rot. Bonds5

About 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid

5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid (PubChem CID 142689339) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid
PubChem CID142689339
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NCCc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C15H14ClNO3/c16-11-3-1-2-10(8-11)6-7-17-12-4-5-14(18)13(9-12)15(19)20/h1-5,8-9,17-18H,6-7H2,(H,19,20)
InChIKeyOUPUHGPGTYRLJN-UHFFFAOYSA-N
XLogP3.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-chlorophenyl)ethylamino]-2-hydroxybenzoic acid;5-[2-(3,4-difluorophenyl)ethylamino]-2-hydroxybenzoic acid
CID 175364280
5-[3-(3,4-dichlorophenyl)propylamino]-2-hydroxybenzoic acid
CID 23650049
4-[(3-chlorophenyl)methylamino]phthalic acid
CID 67019673
sodium 5-[2-(3,4-dichlorophenyl)ethylamino]-2-hydroxybenzoate
CID 142689385
2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid
CID 62945453
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113031026
5-[(3-chlorophenyl)methylamino]-2-nitrobenzoic acid
CID 45444222
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509
N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide
CID 112985705
2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
CID 60934816
2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid
CID 142683927

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid (CID 142689339) is 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid is O=C(O)c1cc(NCCc2cccc(Cl)c2)ccc1O.
What is the InChIKey of 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid?
The InChIKey is OUPUHGPGTYRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-11-3-1-2-10(8-11)6-7-17-12-4-5-14(18)13(9-12)15(19)20/h1-5,8-9,17-18H,6-7H2,(H,19,20).
What are the key properties of 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid?
5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid has a molecular weight of 291.73 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 142689339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).