4-[2-(3-chloroanilino)ethoxy]benzoic acid

C15H14ClNO3 — CID 103234177

IUPAC4-[2-(3-chloroanilino)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCNc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c16-12-2-1-3-13(10-12)17-8-9-20-14-6-4-11(5-7-14)15(18)19/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyOXTUUBJJLFDGHK-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.53
Rot. Bonds6

About 4-[2-(3-chloroanilino)ethoxy]benzoic acid

4-[2-(3-chloroanilino)ethoxy]benzoic acid (PubChem CID 103234177) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 4-[2-(3-chloroanilino)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-chloroanilino)ethoxy]benzoic acid
PubChem CID103234177
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name4-[2-(3-chloroanilino)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCNc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c16-12-2-1-3-13(10-12)17-8-9-20-14-6-4-11(5-7-14)15(18)19/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyOXTUUBJJLFDGHK-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

3-[2-(4-chlorophenoxy)ethylamino]benzoic acid
CID 82096042
4-[2-(5-chloro-2-fluoroanilino)ethoxy]benzoic acid
CID 103237902
3-chloro-N-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62597196
3-(3-phenoxypropylamino)benzoic acid
CID 82096044
3-chloro-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096501
3-[2-(3-fluoroanilino)ethoxy]benzoic acid
CID 103234227
3-[2-(3-methylphenoxy)ethylamino]benzoic acid
CID 82096040
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
4-[2-(3-fluoro-2-methylanilino)ethoxy]benzoic acid
CID 103243616
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
4-[3-(4-tert-butylanilino)propoxy]benzoic acid
CID 14882817
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloroanilino)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(3-chloroanilino)ethoxy]benzoic acid (CID 103234177) is 4-[2-(3-chloroanilino)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(3-chloroanilino)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(3-chloroanilino)ethoxy]benzoic acid is O=C(O)c1ccc(OCCNc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chloroanilino)ethoxy]benzoic acid?
The InChIKey is OXTUUBJJLFDGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-12-2-1-3-13(10-12)17-8-9-20-14-6-4-11(5-7-14)15(18)19/h1-7,10,17H,8-9H2,(H,18,19).
What are the key properties of 4-[2-(3-chloroanilino)ethoxy]benzoic acid?
4-[2-(3-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 4-[2-(3-chloroanilino)ethoxy]benzoic acid is sourced from PubChem (CID 103234177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).