2-[2-(2-chloroanilino)ethoxy]benzoic acid

C15H14ClNO3 — CID 103234531

IUPAC2-[2-(2-chloroanilino)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCNc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3/c16-12-6-2-3-7-13(12)17-9-10-20-14-8-4-1-5-11(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChIKeyJBSBJLWBTSTRDR-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.53
Rot. Bonds6

About 2-[2-(2-chloroanilino)ethoxy]benzoic acid

2-[2-(2-chloroanilino)ethoxy]benzoic acid (PubChem CID 103234531) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-[2-(2-chloroanilino)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-chloroanilino)ethoxy]benzoic acid
PubChem CID103234531
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-[2-(2-chloroanilino)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCNc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3/c16-12-6-2-3-7-13(12)17-9-10-20-14-8-4-1-5-11(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChIKeyJBSBJLWBTSTRDR-UHFFFAOYSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chloro-2-fluoroanilino)ethoxy]benzoic acid
CID 103247399
2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid
CID 18802325
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164
3-chloro-2-[3-(2-methylphenoxy)propylamino]benzoic acid
CID 18803680
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
2-[2-(but-3-ynylamino)ethoxy]benzoic acid
CID 103251096
2-[2-(2,3-dichlorophenoxy)ethylamino]-3-methylbenzoic acid
CID 18803400
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
2-(16-chlorohexadecoxy)benzoic acid
CID 56630672
2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide
CID 62497017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroanilino)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-chloroanilino)ethoxy]benzoic acid (CID 103234531) is 2-[2-(2-chloroanilino)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-chloroanilino)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-chloroanilino)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCNc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chloroanilino)ethoxy]benzoic acid?
The InChIKey is JBSBJLWBTSTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-12-6-2-3-7-13(12)17-9-10-20-14-8-4-1-5-11(14)15(18)19/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of 2-[2-(2-chloroanilino)ethoxy]benzoic acid?
2-[2-(2-chloroanilino)ethoxy]benzoic acid has a molecular weight of 291.73 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroanilino)ethoxy]benzoic acid is sourced from PubChem (CID 103234531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).