4-(2,6-dichloroanilino)benzoic acid

C13H9Cl2NO2 — CID 65499202

IUPAC4-(2,6-dichloroanilino)benzoic acid
SMILESO=C(O)c1ccc(Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H9Cl2NO2/c14-10-2-1-3-11(15)12(10)16-9-6-4-8(5-7-9)13(17)18/h1-7,16H,(H,17,18)
InChIKeySSDSUYXPPPJKLY-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.44
Rot. Bonds3

About 4-(2,6-dichloroanilino)benzoic acid

4-(2,6-dichloroanilino)benzoic acid (PubChem CID 65499202) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-(2,6-dichloroanilino)benzoic acid.

Molecular Properties

Compound Name4-(2,6-dichloroanilino)benzoic acid
PubChem CID65499202
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name4-(2,6-dichloroanilino)benzoic acid
SMILESO=C(O)c1ccc(Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H9Cl2NO2/c14-10-2-1-3-11(15)12(10)16-9-6-4-8(5-7-9)13(17)18/h1-7,16H,(H,17,18)
InChIKeySSDSUYXPPPJKLY-UHFFFAOYSA-N
XLogP4.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichloroanilino)benzoic acid
CID 56930861
N-[4-(2,6-dichloroanilino)phenyl]acetamide
CID 112989665
4-(2,6-dichloroanilino)-3-methylbenzoic acid
CID 65498818
N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide
CID 112989678
4-(3-bromoanilino)benzoic acid
CID 55049149
4-[3,3-bis(2-chlorophenyl)prop-2-enoylamino]benzoic acid
CID 70501127
4-(4-acetamidoanilino)benzoic acid
CID 11425691
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
4-(2,3-difluoroanilino)benzoic acid
CID 62230863
4-[[4-(2-chloroanilino)-5-fluoropyrimidin-2-yl]amino]benzoic acid
CID 56587966
terephthalic acid
CID 160582437
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloroanilino)benzoic acid?
The IUPAC name of 4-(2,6-dichloroanilino)benzoic acid (CID 65499202) is 4-(2,6-dichloroanilino)benzoic acid.
What is the SMILES notation for 4-(2,6-dichloroanilino)benzoic acid?
The canonical SMILES for 4-(2,6-dichloroanilino)benzoic acid is O=C(O)c1ccc(Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-(2,6-dichloroanilino)benzoic acid?
The InChIKey is SSDSUYXPPPJKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-10-2-1-3-11(15)12(10)16-9-6-4-8(5-7-9)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 4-(2,6-dichloroanilino)benzoic acid?
4-(2,6-dichloroanilino)benzoic acid has a molecular weight of 282.13 g/mol, XLogP of 4.44, 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)benzoic acid is sourced from PubChem (CID 65499202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).