3-(2,6-dichloroanilino)benzoic acid

C13H9Cl2NO2 — CID 56930861

IUPAC3-(2,6-dichloroanilino)benzoic acid
SMILESO=C(O)c1cccc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-10-5-2-6-11(15)12(10)16-9-4-1-3-8(7-9)13(17)18/h1-7,16H,(H,17,18)
InChIKeyJPJDMQACYSTMMN-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.44
Rot. Bonds3

About 3-(2,6-dichloroanilino)benzoic acid

3-(2,6-dichloroanilino)benzoic acid (PubChem CID 56930861) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)benzoic acid.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)benzoic acid
PubChem CID56930861
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name3-(2,6-dichloroanilino)benzoic acid
SMILESO=C(O)c1cccc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-10-5-2-6-11(15)12(10)16-9-4-1-3-8(7-9)13(17)18/h1-7,16H,(H,17,18)
InChIKeyJPJDMQACYSTMMN-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

4-(2,6-dichloroanilino)benzoic acid
CID 65499202
3-(2,3,4,5,6-pentafluoroanilino)benzoic acid
CID 43238245
3-(3-chloro-4-fluoroanilino)benzoic acid
CID 82536192
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
4-(2,6-dichloroanilino)-3-methylbenzoic acid
CID 65498818
3-[(2-chloro-3-pyridinyl)amino]benzoic acid
CID 71564651
3-[(2-chloro-6-hydroxyphenyl)methylamino]benzoic acid
CID 114317931
3-(4-acetylanilino)benzoic acid
CID 11184397
3-(2-cyano-6-methylanilino)benzoic acid
CID 107106027
4-(3-chloroanilino)-3,5-difluorobenzoic acid
CID 63184063
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
3-[4-[2-(3-chloro-4-methylphenyl)ethyl]anilino]benzoic acid
CID 22269699

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)benzoic acid?
The IUPAC name of 3-(2,6-dichloroanilino)benzoic acid (CID 56930861) is 3-(2,6-dichloroanilino)benzoic acid.
What is the SMILES notation for 3-(2,6-dichloroanilino)benzoic acid?
The canonical SMILES for 3-(2,6-dichloroanilino)benzoic acid is O=C(O)c1cccc(Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(2,6-dichloroanilino)benzoic acid?
The InChIKey is JPJDMQACYSTMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-10-5-2-6-11(15)12(10)16-9-4-1-3-8(7-9)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 3-(2,6-dichloroanilino)benzoic acid?
3-(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 3-(2,6-dichloroanilino)benzoic acid is sourced from PubChem (CID 56930861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).