2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid

C15H14ClNO3 — CID 62945453

IUPAC2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid
SMILESO=C(O)c1ccc(NCCc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C15H14ClNO3/c16-14-9-11(3-6-13(14)15(19)20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2,(H,19,20)
InChIKeyMLCZHMFKJPCPKM-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid

2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid (PubChem CID 62945453) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid
PubChem CID62945453
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid
SMILESO=C(O)c1ccc(NCCc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C15H14ClNO3/c16-14-9-11(3-6-13(14)15(19)20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2,(H,19,20)
InChIKeyMLCZHMFKJPCPKM-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

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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
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
2-chloro-4-[2-(4-chlorophenyl)ethylamino]benzenecarbothioamide
CID 62947787
2-chloro-4-(3-methylsulfanylpropylamino)benzoic acid
CID 63963389
2-chloro-4-[3-(diethylamino)propylamino]benzoic acid
CID 55151863
2-chloro-4-(prop-2-enylamino)benzoic acid
CID 62945583
2-chloro-4-(pyridin-4-ylmethylamino)benzoic acid
CID 17058958
2-chloro-4-[(3-fluorophenyl)methylamino]benzoic acid
CID 55152051
2-fluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenecarbothioamide
CID 115367994
5-[2-(3-chlorophenyl)ethylamino]-2-hydroxybenzoic acid
CID 142689339
5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 61236750
2-chloro-4-(2-imidazol-1-ylethylamino)benzoic acid
CID 62945455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid?
The IUPAC name of 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid (CID 62945453) is 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid is O=C(O)c1ccc(NCCc2ccc(O)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid?
The InChIKey is MLCZHMFKJPCPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-14-9-11(3-6-13(14)15(19)20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2,(H,19,20).
What are the key properties of 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid?
2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic 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 2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 62945453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).