4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide

C15H12F3NO2 — CID 40650902

IUPAC4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F3NO2/c16-13-4-2-1-3-11(13)9-19-14(20)10-5-7-12(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyDZWCTMFQIAXWFS-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.36
Rot. Bonds5

About 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide

4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 40650902) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID40650902
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F3NO2/c16-13-4-2-1-3-11(13)9-19-14(20)10-5-7-12(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyDZWCTMFQIAXWFS-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 26060041
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19287534

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide (CID 40650902) is 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide is O=C(NCc1ccccc1F)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is DZWCTMFQIAXWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-13-4-2-1-3-11(13)9-19-14(20)10-5-7-12(8-6-10)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide?
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 40650902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).