2-cyclobutyloxy-3,4-difluorobenzamide

C11H11F2NO2 — CID 21191364

IUPAC2-cyclobutyloxy-3,4-difluorobenzamide
SMILESNC(=O)c1ccc(F)c(F)c1OC1CCC1
InChIInChI=1S/C11H11F2NO2/c12-8-5-4-7(11(14)15)10(9(8)13)16-6-2-1-3-6/h4-6H,1-3H2,(H2,14,15)
InChIKeyJJXHAHBEWWVCMY-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.00
Rot. Bonds3

About 2-cyclobutyloxy-3,4-difluorobenzamide

2-cyclobutyloxy-3,4-difluorobenzamide (PubChem CID 21191364) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-cyclobutyloxy-3,4-difluorobenzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-3,4-difluorobenzamide
PubChem CID21191364
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2-cyclobutyloxy-3,4-difluorobenzamide
SMILESNC(=O)c1ccc(F)c(F)c1OC1CCC1
InChIInChI=1S/C11H11F2NO2/c12-8-5-4-7(11(14)15)10(9(8)13)16-6-2-1-3-6/h4-6H,1-3H2,(H2,14,15)
InChIKeyJJXHAHBEWWVCMY-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclobutyloxy-3,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-3,4-difluorobenzamide?
The IUPAC name of 2-cyclobutyloxy-3,4-difluorobenzamide (CID 21191364) is 2-cyclobutyloxy-3,4-difluorobenzamide.
What is the SMILES notation for 2-cyclobutyloxy-3,4-difluorobenzamide?
The canonical SMILES for 2-cyclobutyloxy-3,4-difluorobenzamide is NC(=O)c1ccc(F)c(F)c1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-3,4-difluorobenzamide?
The InChIKey is JJXHAHBEWWVCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-8-5-4-7(11(14)15)10(9(8)13)16-6-2-1-3-6/h4-6H,1-3H2,(H2,14,15).
What are the key properties of 2-cyclobutyloxy-3,4-difluorobenzamide?
2-cyclobutyloxy-3,4-difluorobenzamide has a molecular weight of 227.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-3,4-difluorobenzamide is sourced from PubChem (CID 21191364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).