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

C14H11Cl2NO2 — CID 76852316

IUPAC2-(3,6-dichloro-2-methylanilino)benzoic acid
SMILESCc1c(Cl)ccc(Cl)c1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11Cl2NO2/c1-8-10(15)6-7-11(16)13(8)17-12-5-3-2-4-9(12)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyLNDMBLZYNFDIQZ-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.74
Rot. Bonds3

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

2-(3,6-dichloro-2-methylanilino)benzoic acid (PubChem CID 76852316) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-(3,6-dichloro-2-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-(3,6-dichloro-2-methylanilino)benzoic acid
PubChem CID76852316
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-(3,6-dichloro-2-methylanilino)benzoic acid
SMILESCc1c(Cl)ccc(Cl)c1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11Cl2NO2/c1-8-10(15)6-7-11(16)13(8)17-12-5-3-2-4-9(12)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyLNDMBLZYNFDIQZ-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

6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
bis(2-(2,6-dichloro-3-methylanilino)benzoic acid);4-pyridin-4-ylpyridine
CID 139145966
2-(2-carboxyanilino)-3-chloro-4-methylbenzoic acid
CID 21128606
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-(2-bromo-3-chloroanilino)benzoic acid
CID 103480389
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;hydrate
CID 23663959
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;dihydrate
CID 23702523
2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid
CID 138393314
2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide
CID 57034426
CID 10739949
CID 10739949
2-anilinobenzoic acid;N-phenylaniline
CID 68732454

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dichloro-2-methylanilino)benzoic acid?
The IUPAC name of 2-(3,6-dichloro-2-methylanilino)benzoic acid (CID 76852316) is 2-(3,6-dichloro-2-methylanilino)benzoic acid.
What is the SMILES notation for 2-(3,6-dichloro-2-methylanilino)benzoic acid?
The canonical SMILES for 2-(3,6-dichloro-2-methylanilino)benzoic acid is Cc1c(Cl)ccc(Cl)c1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(3,6-dichloro-2-methylanilino)benzoic acid?
The InChIKey is LNDMBLZYNFDIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-10(15)6-7-11(16)13(8)17-12-5-3-2-4-9(12)14(18)19/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2-(3,6-dichloro-2-methylanilino)benzoic acid?
2-(3,6-dichloro-2-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-(3,6-dichloro-2-methylanilino)benzoic acid is sourced from PubChem (CID 76852316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).