2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate

C14H10Cl2NO2- — CID 4036

IUPAC2-(2,6-dichloro-3-methylanilino)benzoate
SMILESCC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl
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)/p-1
InChIKeySBDNJUWAMKYJOX-UHFFFAOYSA-M
MW295.10 g/mol
LogP5.80
Rot. Bonds2

About 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate

2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate (PubChem CID 4036) has the molecular formula C14H10Cl2NO2- and a molecular weight of 295.10 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-methylanilino)benzoate.

Molecular Properties

Compound Name2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate
PubChem CID4036
Molecular FormulaC14H10Cl2NO2-
Molecular Weight295.10 g/mol
Exact Mass294.01
IUPAC Name2-(2,6-dichloro-3-methylanilino)benzoate
SMILESCC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl
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)/p-1
InChIKeySBDNJUWAMKYJOX-UHFFFAOYSA-M
XLogP5.80
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity321

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.10
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Meclofenamate Sodium
CID 4038
Meclofenamic Acid
CID 4037
Tolfenamic Acid
CID 610479
Lobenzarit Sodium
CID 47462
Zapnometinib
CID 10112191
Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester
CID 76743
2-(4-Chloroanilino)benzoic acid
CID 459316
2-(2,4-Dichlorobenzamido)-5-methylbenzoic acid
CID 4287647
2-((4-Chlorobenzyl)amino)benzoic acid
CID 3538522
Methyl 2-amino-4-((2,5-dichlorophenyl)carbamoyl)benzoate
CID 761588
Lobenzarit
CID 3946
2-((3-Chlorophenyl)amino)benzoic acid
CID 83293

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate?
The IUPAC name of 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate (CID 4036) is 2-(2,6-dichloro-3-methylanilino)benzoate.
What is the SMILES notation for 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate?
The canonical SMILES for 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate is CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.
What is the InChIKey of 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate?
The InChIKey is SBDNJUWAMKYJOX-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate?
2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate has a molecular weight of 295.10 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoate is sourced from PubChem (CID 4036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).