2-(2,6-dichloro-3-methylanilino)benzoic acid

C14H11Cl2NO2 — CID 4037

IUPAC2-(2,6-dichloro-3-methylanilino)benzoic acid
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl
InChIInChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeySBDNJUWAMKYJOX-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.74
Rot. Bonds3

About 2-(2,6-dichloro-3-methylanilino)benzoic acid

2-(2,6-dichloro-3-methylanilino)benzoic acid (PubChem CID 4037) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-(2,6-dichloro-3-methylanilino)benzoic acid
PubChem CID4037
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-(2,6-dichloro-3-methylanilino)benzoic acid
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl
InChIInChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeySBDNJUWAMKYJOX-UHFFFAOYSA-N
XLogP4.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate
CID 4036
N-(3-Methylphenyl)anthranilic acid
CID 85472
Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester
CID 76743
2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid
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2-(4-Chloroanilino)benzoic acid
CID 459316
2-(2,4-Dichlorobenzamido)-5-methylbenzoic acid
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2-((4-Chlorobenzyl)amino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-methylanilino)benzoic acid?
The IUPAC name of 2-(2,6-dichloro-3-methylanilino)benzoic acid (CID 4037) is 2-(2,6-dichloro-3-methylanilino)benzoic acid.
What is the SMILES notation for 2-(2,6-dichloro-3-methylanilino)benzoic acid?
The canonical SMILES for 2-(2,6-dichloro-3-methylanilino)benzoic acid is Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl.
What is the InChIKey of 2-(2,6-dichloro-3-methylanilino)benzoic acid?
The InChIKey is SBDNJUWAMKYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2-(2,6-dichloro-3-methylanilino)benzoic acid?
2-(2,6-dichloro-3-methylanilino)benzoic acid has a molecular weight of 296.15 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3-methylanilino)benzoic acid is sourced from PubChem (CID 4037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).