2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide

C16H13F4NO2 — CID 46587974

IUPAC2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OC(F)F)c1cc(F)ccc1F
InChIInChI=1S/C16H13F4NO2/c1-9(12-8-10(17)6-7-13(12)18)21-15(22)11-4-2-3-5-14(11)23-16(19)20/h2-9,16H,1H3,(H,21,22)
InChIKeyMZQGVJYAIMSRAX-UHFFFAOYSA-N
MW327.28 g/mol
LogP4.06
Rot. Bonds5

About 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide

2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide (PubChem CID 46587974) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
PubChem CID46587974
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC Name2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OC(F)F)c1cc(F)ccc1F
InChIInChI=1S/C16H13F4NO2/c1-9(12-8-10(17)6-7-13(12)18)21-15(22)11-4-2-3-5-14(11)23-16(19)20/h2-9,16H,1H3,(H,21,22)
InChIKeyMZQGVJYAIMSRAX-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
CID 78984250
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
CID 64991633
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
CID 113273535

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide (CID 46587974) is 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1OC(F)F)c1cc(F)ccc1F.
What is the InChIKey of 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide?
The InChIKey is MZQGVJYAIMSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c1-9(12-8-10(17)6-7-13(12)18)21-15(22)11-4-2-3-5-14(11)23-16(19)20/h2-9,16H,1H3,(H,21,22).
What are the key properties of 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide?
2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide has a molecular weight of 327.28 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 46587974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).