3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide

C15H19F2NO2 — CID 91915480

IUPAC3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCOC1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)12-3-4-13(16)14(17)8-12/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyLVTFMESAYQFBNP-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.85
Rot. Bonds5

About 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide

3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide (PubChem CID 91915480) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
PubChem CID91915480
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCOC1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)12-3-4-13(16)14(17)8-12/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyLVTFMESAYQFBNP-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The IUPAC name of 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide (CID 91915480) is 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide is CCCN(CC1CCOC1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The InChIKey is LVTFMESAYQFBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-6-18(9-11-5-7-20-10-11)15(19)12-3-4-13(16)14(17)8-12/h3-4,8,11H,2,5-7,9-10H2,1H3.
What are the key properties of 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide has a molecular weight of 283.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 91915480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).