2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide

C13H15F2NO2 — CID 110875851

IUPAC2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(CC1CCOC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO2/c1-16(7-9-4-5-18-8-9)13(17)11-3-2-10(14)6-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyORVRXYCEZNYOGI-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.07
Rot. Bonds3

About 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide

2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 110875851) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID110875851
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(CC1CCOC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO2/c1-16(7-9-4-5-18-8-9)13(17)11-3-2-10(14)6-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyORVRXYCEZNYOGI-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 110875851) is 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide is CN(CC1CCOC1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is ORVRXYCEZNYOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-16(7-9-4-5-18-8-9)13(17)11-3-2-10(14)6-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 255.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 110875851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).