5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide

C15H13BrF2N2O — CID 105401144

IUPAC5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
SMILESCc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cc1Br
InChIInChI=1S/C15H13BrF2N2O/c1-8-2-3-9(4-11(8)16)7-20-14-5-10(15(19)21)12(17)6-13(14)18/h2-6,20H,7H2,1H3,(H2,19,21)
InChIKeyKVRAZSJOJWLMIV-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.75
Rot. Bonds4

About 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide

5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide (PubChem CID 105401144) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
PubChem CID105401144
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
SMILESCc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cc1Br
InChIInChI=1S/C15H13BrF2N2O/c1-8-2-3-9(4-11(8)16)7-20-14-5-10(15(19)21)12(17)6-13(14)18/h2-6,20H,7H2,1H3,(H2,19,21)
InChIKeyKVRAZSJOJWLMIV-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-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
5-[(4-bromo-3-methylphenyl)methylamino]-2,4-difluorobenzoic acid
CID 66473007
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
2,4-difluoro-5-[(3-fluoro-4-methylphenyl)methylamino]benzoic acid
CID 63646043
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
CID 105401162
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide (CID 105401144) is 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide is Cc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cc1Br.
What is the InChIKey of 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide?
The InChIKey is KVRAZSJOJWLMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-8-2-3-9(4-11(8)16)7-20-14-5-10(15(19)21)12(17)6-13(14)18/h2-6,20H,7H2,1H3,(H2,19,21).
What are the key properties of 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide?
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide 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 5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide is sourced from PubChem (CID 105401144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).