3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide

C14H10F3NO — CID 28558368

IUPAC3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F3NO/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-12(16)13(17)7-10/h1-7H,8H2,(H,18,19)
InChIKeyMADIWJXGRMJMGA-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.03
Rot. Bonds3

About 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide

3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 28558368) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID28558368
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F3NO/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-12(16)13(17)7-10/h1-7H,8H2,(H,18,19)
InChIKeyMADIWJXGRMJMGA-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3,4-difluorobenzamide
CID 1294460
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295
5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105648
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
[4-[[(4-fluorobenzoyl)amino]methyl]phenyl]boronic acid
CID 140784388

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide (CID 28558368) is 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is MADIWJXGRMJMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-12(16)13(17)7-10/h1-7H,8H2,(H,18,19).
What are the key properties of 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide?
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 265.23 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 28558368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).