3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide

C15H13Br2FN2O — CID 60861695

IUPAC3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c(C)c(F)c2)c(Br)c1
InChIInChI=1S/C15H13Br2FN2O/c1-7-3-10(16)14(11(17)4-7)20-15(21)9-5-12(18)8(2)13(19)6-9/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyHSYBPWFEHIVNNW-UHFFFAOYSA-N
MW416.09 g/mol
LogP4.80
Rot. Bonds2

About 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide

3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide (PubChem CID 60861695) has the molecular formula C15H13Br2FN2O and a molecular weight of 416.09 g/mol. Its IUPAC name is 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
PubChem CID60861695
Molecular FormulaC15H13Br2FN2O
Molecular Weight416.09 g/mol
Exact Mass413.94
IUPAC Name3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c(C)c(F)c2)c(Br)c1
InChIInChI=1S/C15H13Br2FN2O/c1-7-3-10(16)14(11(17)4-7)20-15(21)9-5-12(18)8(2)13(19)6-9/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyHSYBPWFEHIVNNW-UHFFFAOYSA-N
XLogP4.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 107608760
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-N-(5-bromo-2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 107796900
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide (CID 60861695) is 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide is Cc1cc(Br)c(NC(=O)c2cc(N)c(C)c(F)c2)c(Br)c1.
What is the InChIKey of 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide?
The InChIKey is HSYBPWFEHIVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FN2O/c1-7-3-10(16)14(11(17)4-7)20-15(21)9-5-12(18)8(2)13(19)6-9/h3-6H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide has a molecular weight of 416.09 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60861695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).