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

C12H13F2NO2 — CID 3153082

IUPAC3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c13-10-4-3-8(6-11(10)14)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyWAESNCVPDSTBCC-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.87
Rot. Bonds3

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

3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3153082) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3153082
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c13-10-4-3-8(6-11(10)14)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyWAESNCVPDSTBCC-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide (CID 3153082) is 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WAESNCVPDSTBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-10-4-3-8(6-11(10)14)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16).
What are the key properties of 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide?
3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 241.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3153082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).