N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide

C16H14F3NO2 — CID 134059081

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C16H14F3NO2/c1-20(15(21)13-4-2-3-5-14(13)17)10-11-6-8-12(9-7-11)22-16(18)19/h2-9,16H,10H2,1H3
InChIKeyDCCITJADNZVOHK-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.70
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide (PubChem CID 134059081) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
PubChem CID134059081
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C16H14F3NO2/c1-20(15(21)13-4-2-3-5-14(13)17)10-11-6-8-12(9-7-11)22-16(18)19/h2-9,16H,10H2,1H3
InChIKeyDCCITJADNZVOHK-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 51255380
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenoxy)-N-methylacetamide
CID 78762062
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
CID 31361414
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55518274
6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide
CID 55875327
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide (CID 134059081) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1F.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide?
The InChIKey is DCCITJADNZVOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-20(15(21)13-4-2-3-5-14(13)17)10-11-6-8-12(9-7-11)22-16(18)19/h2-9,16H,10H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide has a molecular weight of 309.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 134059081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).