2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid

C15H13Cl2NO3 — CID 18802325

IUPAC2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid
SMILESO=C(O)c1ccccc1NCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO3/c16-10-5-6-12(17)14(9-10)21-8-7-18-13-4-2-1-3-11(13)15(19)20/h1-6,9,18H,7-8H2,(H,19,20)
InChIKeySONYWJQWXMUROY-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.18
Rot. Bonds6

About 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid

2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid (PubChem CID 18802325) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid
PubChem CID18802325
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid
SMILESO=C(O)c1ccccc1NCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO3/c16-10-5-6-12(17)14(9-10)21-8-7-18-13-4-2-1-3-11(13)15(19)20/h1-6,9,18H,7-8H2,(H,19,20)
InChIKeySONYWJQWXMUROY-UHFFFAOYSA-N
XLogP4.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.18
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

methyl 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoate
CID 18802372
2-[2-(2,5-dichlorophenoxy)ethylamino]-5-methylbenzoic acid
CID 18802511
2-[2-(2-chloroanilino)ethoxy]benzoic acid
CID 103234531
2-[2-(4-chloro-2-fluoroanilino)ethoxy]benzoic acid
CID 103247399
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine;oxalic acid
CID 2934611
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
2-[(2-bromo-5-chlorophenyl)methylamino]benzoic acid
CID 66159480
2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
CID 2865584
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid?
The IUPAC name of 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid (CID 18802325) is 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid.
What is the SMILES notation for 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid?
The canonical SMILES for 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid is O=C(O)c1ccccc1NCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid?
The InChIKey is SONYWJQWXMUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-10-5-6-12(17)14(9-10)21-8-7-18-13-4-2-1-3-11(13)15(19)20/h1-6,9,18H,7-8H2,(H,19,20).
What are the key properties of 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid?
2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid has a molecular weight of 326.18 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid is sourced from PubChem (CID 18802325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).