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

C16H16F2N2O — CID 43779137

IUPAC5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
SMILESCc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cc1C
InChIInChI=1S/C16H16F2N2O/c1-9-3-4-11(5-10(9)2)8-20-15-6-12(16(19)21)13(17)7-14(15)18/h3-7,20H,8H2,1-2H3,(H2,19,21)
InChIKeyJVBVXMDUCZVHKD-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.29
Rot. Bonds4

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

5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide (PubChem CID 43779137) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
PubChem CID43779137
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
SMILESCc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cc1C
InChIInChI=1S/C16H16F2N2O/c1-9-3-4-11(5-10(9)2)8-20-15-6-12(16(19)21)13(17)7-14(15)18/h3-7,20H,8H2,1-2H3,(H2,19,21)
InChIKeyJVBVXMDUCZVHKD-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
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
5-[(4-bromo-3-methylphenyl)methylamino]-2,4-difluorobenzoic acid
CID 66473007
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62472762
2,4-difluoro-5-[(3-methylphenyl)methylamino]benzoic acid
CID 43737084
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide (CID 43779137) is 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide is Cc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide?
The InChIKey is JVBVXMDUCZVHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9-3-4-11(5-10(9)2)8-20-15-6-12(16(19)21)13(17)7-14(15)18/h3-7,20H,8H2,1-2H3,(H2,19,21).
What are the key properties of 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide?
5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide is sourced from PubChem (CID 43779137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).