5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide

C13H10Cl2FN3O — CID 107192270

IUPAC5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H10Cl2FN3O/c14-9-3-6(16)1-2-11(9)19-12-8(13(18)20)4-7(17)5-10(12)15/h1-5,19H,17H2,(H2,18,20)
InChIKeyKUASNJOSUYZBNY-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.56
Rot. Bonds3

About 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide

5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide (PubChem CID 107192270) has the molecular formula C13H10Cl2FN3O and a molecular weight of 314.15 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
PubChem CID107192270
Molecular FormulaC13H10Cl2FN3O
Molecular Weight314.15 g/mol
Exact Mass313.02
IUPAC Name5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H10Cl2FN3O/c14-9-3-6(16)1-2-11(9)19-12-8(13(18)20)4-7(17)5-10(12)15/h1-5,19H,17H2,(H2,18,20)
InChIKeyKUASNJOSUYZBNY-UHFFFAOYSA-N
XLogP3.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-2-(2-bromo-4-fluoroanilino)-3-chlorobenzoic acid
CID 107193652
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoic acid
CID 107193296
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316
methyl 5-amino-3-chloro-2-(2,5-difluoroanilino)benzoate
CID 107192840
methyl 5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoate
CID 107193292
5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
CID 107195031
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
CID 107196343

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide (CID 107192270) is 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide is NC(=O)c1cc(N)cc(Cl)c1Nc1ccc(F)cc1Cl.
What is the InChIKey of 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide?
The InChIKey is KUASNJOSUYZBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O/c14-9-3-6(16)1-2-11(9)19-12-8(13(18)20)4-7(17)5-10(12)15/h1-5,19H,17H2,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide?
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide has a molecular weight of 314.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide is sourced from PubChem (CID 107192270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).