4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide

C15H13BrF2N2O — CID 133422147

IUPAC4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide
SMILESCc1cc(CNc2cc(Br)cc(F)c2C(N)=O)ccc1F
InChIInChI=1S/C15H13BrF2N2O/c1-8-4-9(2-3-11(8)17)7-20-13-6-10(16)5-12(18)14(13)15(19)21/h2-6,20H,7H2,1H3,(H2,19,21)
InChIKeyVKHDLWPUZVBLGA-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.75
Rot. Bonds4

About 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide

4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide (PubChem CID 133422147) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide
PubChem CID133422147
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide
SMILESCc1cc(CNc2cc(Br)cc(F)c2C(N)=O)ccc1F
InChIInChI=1S/C15H13BrF2N2O/c1-8-4-9(2-3-11(8)17)7-20-13-6-10(16)5-12(18)14(13)15(19)21/h2-6,20H,7H2,1H3,(H2,19,21)
InChIKeyVKHDLWPUZVBLGA-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
methyl 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methylamino]benzoate
CID 129239172
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide
CID 133423424
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide
CID 178170984
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
4-bromo-2-fluoro-6-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]benzamide
CID 133440634
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-3-methylbenzoate
CID 62121107

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide (CID 133422147) is 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide is Cc1cc(CNc2cc(Br)cc(F)c2C(N)=O)ccc1F.
What is the InChIKey of 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide?
The InChIKey is VKHDLWPUZVBLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-8-4-9(2-3-11(8)17)7-20-13-6-10(16)5-12(18)14(13)15(19)21/h2-6,20H,7H2,1H3,(H2,19,21).
What are the key properties of 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide?
4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide has a molecular weight of 355.18 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 133422147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).