4-(difluoromethoxy)-3-fluoro-N-methylbenzamide

C9H8F3NO2 — CID 126769270

IUPAC4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C9H8F3NO2/c1-13-8(14)5-2-3-7(6(10)4-5)15-9(11)12/h2-4,9H,1H3,(H,13,14)
InChIKeyJCPWIFVIKOBFGR-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.79
Rot. Bonds3

About 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide

4-(difluoromethoxy)-3-fluoro-N-methylbenzamide (PubChem CID 126769270) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
PubChem CID126769270
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C9H8F3NO2/c1-13-8(14)5-2-3-7(6(10)4-5)15-9(11)12/h2-4,9H,1H3,(H,13,14)
InChIKeyJCPWIFVIKOBFGR-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
3-bromo-1-[4-(difluoromethoxy)-3-fluorophenyl]propan-1-one
CID 134625396
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
CID 167532226
CID 167532226
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
1-[3-fluoro-4-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]phenyl]ethanone
CID 19967847
4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218194
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
CID 87025999
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide
CID 55483410

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide (CID 126769270) is 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide is CNC(=O)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide?
The InChIKey is JCPWIFVIKOBFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-13-8(14)5-2-3-7(6(10)4-5)15-9(11)12/h2-4,9H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide?
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide has a molecular weight of 219.16 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 126769270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).