N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide

C15H11F4NO — CID 62649068

IUPACN-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cccc(F)c1F
InChIInChI=1S/C15H11F4NO/c1-20(8-9-5-6-10(16)7-13(9)18)15(21)11-3-2-4-12(17)14(11)19/h2-7H,8H2,1H3
InChIKeyJZIRXWZNQZPYHC-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.52
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide

N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide (PubChem CID 62649068) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
PubChem CID62649068
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cccc(F)c1F
InChIInChI=1S/C15H11F4NO/c1-20(8-9-5-6-10(16)7-13(9)18)15(21)11-3-2-4-12(17)14(11)19/h2-7H,8H2,1H3
InChIKeyJZIRXWZNQZPYHC-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62648755
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 107074426
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55549584
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide (CID 62649068) is N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide is CN(Cc1ccc(F)cc1F)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide?
The InChIKey is JZIRXWZNQZPYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c1-20(8-9-5-6-10(16)7-13(9)18)15(21)11-3-2-4-12(17)14(11)19/h2-7H,8H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide?
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide has a molecular weight of 297.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide is sourced from PubChem (CID 62649068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).