2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid

C16H15Cl2NO4 — CID 11602849

IUPAC2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid
SMILESCOCCOc1c(Cl)cc(Nc2ccccc2C(=O)O)cc1Cl
InChIInChI=1S/C16H15Cl2NO4/c1-22-6-7-23-15-12(17)8-10(9-13(15)18)19-14-5-3-2-4-11(14)16(20)21/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)
InChIKeyHKALYJNODHYLDC-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.46
Rot. Bonds7

About 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid

2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid (PubChem CID 11602849) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid
PubChem CID11602849
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid
SMILESCOCCOc1c(Cl)cc(Nc2ccccc2C(=O)O)cc1Cl
InChIInChI=1S/C16H15Cl2NO4/c1-22-6-7-23-15-12(17)8-10(9-13(15)18)19-14-5-3-2-4-11(14)16(20)21/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)
InChIKeyHKALYJNODHYLDC-UHFFFAOYSA-N
XLogP4.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3,5-dichloro-4-phenylmethoxyanilino)benzoate
CID 59509768
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
2-(3-propoxyanilino)benzoic acid
CID 154130973
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
2-(4-ethoxyanilino)benzoic acid
CID 15247418
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]benzoic acid
CID 22269838
2-[4-[3-[3-[4-(2-carboxyethyl)-2,6-dichlorophenoxy]propylsulfonyl]propoxy]-3-(trifluoromethyl)anilino]benzoic acid
CID 170371282
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid?
The IUPAC name of 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid (CID 11602849) is 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid?
The canonical SMILES for 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid is COCCOc1c(Cl)cc(Nc2ccccc2C(=O)O)cc1Cl.
What is the InChIKey of 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid?
The InChIKey is HKALYJNODHYLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-22-6-7-23-15-12(17)8-10(9-13(15)18)19-14-5-3-2-4-11(14)16(20)21/h2-5,8-9,19H,6-7H2,1H3,(H,20,21).
What are the key properties of 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid?
2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid has a molecular weight of 356.21 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid is sourced from PubChem (CID 11602849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).