N-benzyl-3,4-difluorobenzamide

C14H11F2NO — CID 1294460

IUPACN-benzyl-3,4-difluorobenzamide
SMILESO=C(NCc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO/c15-12-7-6-11(8-13(12)16)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyNZOXBWNGOPAGPD-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.89
Rot. Bonds3

About N-benzyl-3,4-difluorobenzamide

N-benzyl-3,4-difluorobenzamide (PubChem CID 1294460) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is N-benzyl-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-benzyl-3,4-difluorobenzamide
PubChem CID1294460
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC NameN-benzyl-3,4-difluorobenzamide
SMILESO=C(NCc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO/c15-12-7-6-11(8-13(12)16)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyNZOXBWNGOPAGPD-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295
N-benzyl-3-fluoro-4-nitrobenzamide
CID 62682905
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788
3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110445664
2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 20714672
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-difluorobenzamide?
The IUPAC name of N-benzyl-3,4-difluorobenzamide (CID 1294460) is N-benzyl-3,4-difluorobenzamide.
What is the SMILES notation for N-benzyl-3,4-difluorobenzamide?
The canonical SMILES for N-benzyl-3,4-difluorobenzamide is O=C(NCc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-benzyl-3,4-difluorobenzamide?
The InChIKey is NZOXBWNGOPAGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c15-12-7-6-11(8-13(12)16)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of N-benzyl-3,4-difluorobenzamide?
N-benzyl-3,4-difluorobenzamide has a molecular weight of 247.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-difluorobenzamide is sourced from PubChem (CID 1294460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).