4-(2,6-dichloroanilino)-3-methylbenzoic acid

C14H11Cl2NO2 — CID 65498818

IUPAC4-(2,6-dichloroanilino)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c1-8-7-9(14(18)19)5-6-12(8)17-13-10(15)3-2-4-11(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyGUONHCYMNDDDEG-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.74
Rot. Bonds3

About 4-(2,6-dichloroanilino)-3-methylbenzoic acid

4-(2,6-dichloroanilino)-3-methylbenzoic acid (PubChem CID 65498818) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 4-(2,6-dichloroanilino)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2,6-dichloroanilino)-3-methylbenzoic acid
PubChem CID65498818
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name4-(2,6-dichloroanilino)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c1-8-7-9(14(18)19)5-6-12(8)17-13-10(15)3-2-4-11(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyGUONHCYMNDDDEG-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

4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
3-(2,6-dichloroanilino)benzoic acid
CID 56930861
4-(2,6-dichloroanilino)benzoic acid
CID 65499202
4-(3-ethynylanilino)-3-methylbenzoic acid
CID 63212246
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 63526781
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107687790
4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
CID 78319441
4-(3-ethoxyanilino)-3-methylbenzoic acid
CID 63212509

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloroanilino)-3-methylbenzoic acid?
The IUPAC name of 4-(2,6-dichloroanilino)-3-methylbenzoic acid (CID 65498818) is 4-(2,6-dichloroanilino)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2,6-dichloroanilino)-3-methylbenzoic acid?
The canonical SMILES for 4-(2,6-dichloroanilino)-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichloroanilino)-3-methylbenzoic acid?
The InChIKey is GUONHCYMNDDDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-7-9(14(18)19)5-6-12(8)17-13-10(15)3-2-4-11(13)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 4-(2,6-dichloroanilino)-3-methylbenzoic acid?
4-(2,6-dichloroanilino)-3-methylbenzoic 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 4-(2,6-dichloroanilino)-3-methylbenzoic acid is sourced from PubChem (CID 65498818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).