2-(3,5-dichloroanilino)benzoic acid

C13H9Cl2NO2 — CID 644279

IUPAC2-(3,5-dichloroanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)
InChIKeyFNGSQOJHNAYHAT-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.44
Rot. Bonds3

About 2-(3,5-dichloroanilino)benzoic acid

2-(3,5-dichloroanilino)benzoic acid (PubChem CID 644279) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)benzoic acid.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)benzoic acid
PubChem CID644279
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2-(3,5-dichloroanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)
InChIKeyFNGSQOJHNAYHAT-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

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CID 4044
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CID 610479
N-Phenylanthranilic Acid
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Enfenamic Acid
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2-(Benzoylamino)benzoic acid
CID 68482
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CID 47462
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CID 11371
2-Amino-4-chlorobenzoic acid
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N-(3-Methylphenyl)anthranilic acid
CID 85472

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)benzoic acid?
The IUPAC name of 2-(3,5-dichloroanilino)benzoic acid (CID 644279) is 2-(3,5-dichloroanilino)benzoic acid.
What is the SMILES notation for 2-(3,5-dichloroanilino)benzoic acid?
The canonical SMILES for 2-(3,5-dichloroanilino)benzoic acid is O=C(O)c1ccccc1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichloroanilino)benzoic acid?
The InChIKey is FNGSQOJHNAYHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 2-(3,5-dichloroanilino)benzoic acid?
2-(3,5-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 2-(3,5-dichloroanilino)benzoic acid is sourced from PubChem (CID 644279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).