4-amino-2-(2-bromo-6-fluoroanilino)benzamide

C13H11BrFN3O — CID 107596749

IUPAC4-amino-2-(2-bromo-6-fluoroanilino)benzamide
SMILESNC(=O)c1ccc(N)cc1Nc1c(F)cccc1Br
InChIInChI=1S/C13H11BrFN3O/c14-9-2-1-3-10(15)12(9)18-11-6-7(16)4-5-8(11)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyMKAQENWCKNASTC-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.01
Rot. Bonds3

About 4-amino-2-(2-bromo-6-fluoroanilino)benzamide

4-amino-2-(2-bromo-6-fluoroanilino)benzamide (PubChem CID 107596749) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 4-amino-2-(2-bromo-6-fluoroanilino)benzamide.

Molecular Properties

Compound Name4-amino-2-(2-bromo-6-fluoroanilino)benzamide
PubChem CID107596749
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name4-amino-2-(2-bromo-6-fluoroanilino)benzamide
SMILESNC(=O)c1ccc(N)cc1Nc1c(F)cccc1Br
InChIInChI=1S/C13H11BrFN3O/c14-9-2-1-3-10(15)12(9)18-11-6-7(16)4-5-8(11)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyMKAQENWCKNASTC-UHFFFAOYSA-N
XLogP3.01
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.01
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

4-amino-2-(2-bromo-6-fluoroanilino)benzoic acid
CID 107602748
2-(2-bromo-6-fluoroanilino)-4-chlorobenzenecarbothioamide
CID 107600580
4-amino-2-(2-bromo-5-fluoroanilino)benzamide
CID 107634543
5-amino-2-(2-bromo-6-fluoroanilino)-N-methylbenzenesulfonamide
CID 107596756
4-amino-2-(3-fluoro-5-methylanilino)benzamide
CID 79048555
5-amino-3-(2-bromo-6-fluoroanilino)-2-methylbenzenesulfonamide
CID 107596732
2-(2-bromo-6-fluoroanilino)-4-nitrobenzoic acid
CID 107600924
4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
CID 107596728
5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide
CID 102854796
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
CID 107596742
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-bromo-6-fluoroanilino)benzamide?
The IUPAC name of 4-amino-2-(2-bromo-6-fluoroanilino)benzamide (CID 107596749) is 4-amino-2-(2-bromo-6-fluoroanilino)benzamide.
What is the SMILES notation for 4-amino-2-(2-bromo-6-fluoroanilino)benzamide?
The canonical SMILES for 4-amino-2-(2-bromo-6-fluoroanilino)benzamide is NC(=O)c1ccc(N)cc1Nc1c(F)cccc1Br.
What is the InChIKey of 4-amino-2-(2-bromo-6-fluoroanilino)benzamide?
The InChIKey is MKAQENWCKNASTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c14-9-2-1-3-10(15)12(9)18-11-6-7(16)4-5-8(11)13(17)19/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 4-amino-2-(2-bromo-6-fluoroanilino)benzamide?
4-amino-2-(2-bromo-6-fluoroanilino)benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-bromo-6-fluoroanilino)benzamide is sourced from PubChem (CID 107596749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).