3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide

C13H17F2NO2 — CID 134434072

IUPAC3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(OC)(c1ccccc1)C(F)F
InChIInChI=1S/C13H17F2NO2/c1-3-9-16-12(17)13(18-2,11(14)15)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,17)
InChIKeyNSGWYZLGUXXKRU-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.32
Rot. Bonds6

About 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide

3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide (PubChem CID 134434072) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide
PubChem CID134434072
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(OC)(c1ccccc1)C(F)F
InChIInChI=1S/C13H17F2NO2/c1-3-9-16-12(17)13(18-2,11(14)15)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,17)
InChIKeyNSGWYZLGUXXKRU-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide 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 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide?
The IUPAC name of 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide (CID 134434072) is 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide.
What is the SMILES notation for 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide?
The canonical SMILES for 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide is CCCNC(=O)C(OC)(c1ccccc1)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide?
The InChIKey is NSGWYZLGUXXKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-3-9-16-12(17)13(18-2,11(14)15)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,17).
What are the key properties of 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide?
3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide has a molecular weight of 257.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methoxy-2-phenyl-N-propylpropanamide is sourced from PubChem (CID 134434072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).