5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide

C13H10BrF2N3O — CID 102854796

IUPAC5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide
SMILESNC(=O)c1cc(N)ccc1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C13H10BrF2N3O/c14-8-4-12(10(16)5-9(8)15)19-11-2-1-6(17)3-7(11)13(18)20/h1-5,19H,17H2,(H2,18,20)
InChIKeyLBSYWOWZPQJESW-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.15
Rot. Bonds3

About 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide

5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide (PubChem CID 102854796) has the molecular formula C13H10BrF2N3O and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide
PubChem CID102854796
Molecular FormulaC13H10BrF2N3O
Molecular Weight342.14 g/mol
Exact Mass341.00
IUPAC Name5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide
SMILESNC(=O)c1cc(N)ccc1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C13H10BrF2N3O/c14-8-4-12(10(16)5-9(8)15)19-11-2-1-6(17)3-7(11)13(18)20/h1-5,19H,17H2,(H2,18,20)
InChIKeyLBSYWOWZPQJESW-UHFFFAOYSA-N
XLogP3.15
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(4-bromoanilino)benzamide
CID 55125298
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450
5-amino-2-(5-bromo-2-fluoroanilino)benzoic acid
CID 54888186
2-amino-6-(5-bromo-2,4-difluoroanilino)-3-fluorobenzoic acid
CID 102854060
5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866
5-bromo-2-(4-bromo-2,5-difluoroanilino)benzenecarbothioamide
CID 107612239
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
4-amino-2-(2-bromo-5-fluoroanilino)benzamide
CID 107634543
5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
CID 102854816
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
methyl 2-amino-3-(5-bromo-2,4-difluoroanilino)benzoate
CID 102854793
5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
CID 83234649

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide?
The IUPAC name of 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide (CID 102854796) is 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide.
What is the SMILES notation for 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide?
The canonical SMILES for 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide is NC(=O)c1cc(N)ccc1Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide?
The InChIKey is LBSYWOWZPQJESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N3O/c14-8-4-12(10(16)5-9(8)15)19-11-2-1-6(17)3-7(11)13(18)20/h1-5,19H,17H2,(H2,18,20).
What are the key properties of 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide?
5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide has a molecular weight of 342.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide is sourced from PubChem (CID 102854796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).