3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide

C14H20F2N2O2 — CID 103206316

IUPAC3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide
SMILESCNC(C)c1ccccc1NC(=O)CCOCC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-10(17-2)11-5-3-4-6-12(11)18-14(19)7-8-20-9-13(15)16/h3-6,10,13,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyTXYJGPVDZPTLKI-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.58
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide

3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide (PubChem CID 103206316) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide
PubChem CID103206316
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide
SMILESCNC(C)c1ccccc1NC(=O)CCOCC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-10(17-2)11-5-3-4-6-12(11)18-14(19)7-8-20-9-13(15)16/h3-6,10,13,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyTXYJGPVDZPTLKI-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
2-(4-fluorophenyl)-N-[2-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507974
N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208208
3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910760
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 103208634
N-[2-(1-hydroxyethyl)phenyl]-3-phenoxypropanamide
CID 43508522
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254
2-cyclohexyl-N-[2-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507911
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205523
N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide
CID 60546156

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide (CID 103206316) is 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide is CNC(C)c1ccccc1NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide?
The InChIKey is TXYJGPVDZPTLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-10(17-2)11-5-3-4-6-12(11)18-14(19)7-8-20-9-13(15)16/h3-6,10,13,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide?
3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide has a molecular weight of 286.32 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 103206316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).