N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide

C15H13BrF2N2O — CID 107631048

IUPACN-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)Nc2cccc(Br)c2C)cc1F
InChIInChI=1S/C15H13BrF2N2O/c1-8-10(16)4-3-5-13(8)20-15(21)9-6-11(17)14(19-2)12(18)7-9/h3-7,19H,1-2H3,(H,20,21)
InChIKeyFUKHBEVJWICOBH-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.33
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide

N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 107631048) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide
PubChem CID107631048
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)Nc2cccc(Br)c2C)cc1F
InChIInChI=1S/C15H13BrF2N2O/c1-8-10(16)4-3-5-13(8)20-15(21)9-6-11(17)14(19-2)12(18)7-9/h3-7,19H,1-2H3,(H,20,21)
InChIKeyFUKHBEVJWICOBH-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 63187023
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580024
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
3,5-difluoro-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63187190
4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
CID 63187147
3-bromo-N-(3-bromo-2-methylphenyl)-5-nitrobenzamide
CID 107640528
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
CID 107630943
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
4-(3-bromo-2-methylanilino)-3,5-difluorobenzenecarbothioamide
CID 107635458
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide (CID 107631048) is N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)Nc2cccc(Br)c2C)cc1F.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is FUKHBEVJWICOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-8-10(16)4-3-5-13(8)20-15(21)9-6-11(17)14(19-2)12(18)7-9/h3-7,19H,1-2H3,(H,20,21).
What are the key properties of N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide?
N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 355.18 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 107631048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).