2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide

C16H14F3NO2 — CID 39709098

IUPAC2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1ccccc1OC(F)F
InChIInChI=1S/C16H14F3NO2/c17-13-7-3-1-5-11(13)9-10-20-15(21)12-6-2-4-8-14(12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyQIXFNSUEZMGSJQ-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.40
Rot. Bonds6

About 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide

2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide (PubChem CID 39709098) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
PubChem CID39709098
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1ccccc1OC(F)F
InChIInChI=1S/C16H14F3NO2/c17-13-7-3-1-5-11(13)9-10-20-15(21)12-6-2-4-8-14(12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyQIXFNSUEZMGSJQ-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
2-(difluoromethoxy)-N-(2-pyridin-3-ylethyl)benzamide
CID 39561684
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(difluoromethoxy)benzamide
CID 46823890
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide (CID 39709098) is 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccccc1F)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is QIXFNSUEZMGSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-13-7-3-1-5-11(13)9-10-20-15(21)12-6-2-4-8-14(12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21).
What are the key properties of 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide?
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 39709098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).