2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide

C15H19F2NO2 — CID 91915475

IUPAC2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCOC1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H19F2NO2/c1-2-7-18(9-11-6-8-20-10-11)15(19)14-12(16)4-3-5-13(14)17/h3-5,11H,2,6-10H2,1H3
InChIKeyHXHFZMMAJYYXLH-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.85
Rot. Bonds5

About 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide

2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide (PubChem CID 91915475) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
PubChem CID91915475
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCOC1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H19F2NO2/c1-2-7-18(9-11-6-8-20-10-11)15(19)14-12(16)4-3-5-13(14)17/h3-5,11H,2,6-10H2,1H3
InChIKeyHXHFZMMAJYYXLH-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 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide (CID 91915475) is 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide is CCCN(CC1CCOC1)C(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
The InChIKey is HXHFZMMAJYYXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-7-18(9-11-6-8-20-10-11)15(19)14-12(16)4-3-5-13(14)17/h3-5,11H,2,6-10H2,1H3.
What are the key properties of 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide?
2,6-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 2,6-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 91915475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).