2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

C15H12F3NO — CID 34485300

IUPAC2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H12F3NO/c1-9-2-3-10(6-13(9)17)8-19-15(20)12-5-4-11(16)7-14(12)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUNHJTPLRIRPDJS-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.34
Rot. Bonds3

About 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (PubChem CID 34485300) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
PubChem CID34485300
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H12F3NO/c1-9-2-3-10(6-13(9)17)8-19-15(20)12-5-4-11(16)7-14(12)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUNHJTPLRIRPDJS-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
CID 24535452
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide
CID 90536053
4-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-2-nitrobenzamide
CID 25316318
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (CID 34485300) is 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(F)cc2F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The InChIKey is UNHJTPLRIRPDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-9-2-3-10(6-13(9)17)8-19-15(20)12-5-4-11(16)7-14(12)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide has a molecular weight of 279.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 34485300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).