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

C15H13F2NO — CID 62649874

IUPAC2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C15H13F2NO/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQQYKJLXLWXCGBD-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.20
Rot. Bonds3

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

2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 62649874) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
PubChem CID62649874
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C15H13F2NO/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQQYKJLXLWXCGBD-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 175327917
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide (CID 62649874) is 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is QQYKJLXLWXCGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide?
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 261.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 62649874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).