N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide

C12H12F2N2O2 — CID 82005179

IUPACN-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
SMILESN#Cc1ccc(NC(=O)CCOCC(F)F)cc1
InChIInChI=1S/C12H12F2N2O2/c13-11(14)8-18-6-5-12(17)16-10-3-1-9(7-15)2-4-10/h1-4,11H,5-6,8H2,(H,16,17)
InChIKeyKAFBEVLWSPBRMY-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.17
Rot. Bonds6

About N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide

N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 82005179) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID82005179
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
SMILESN#Cc1ccc(NC(=O)CCOCC(F)F)cc1
InChIInChI=1S/C12H12F2N2O2/c13-11(14)8-18-6-5-12(17)16-10-3-1-9(7-15)2-4-10/h1-4,11H,5-6,8H2,(H,16,17)
InChIKeyKAFBEVLWSPBRMY-UHFFFAOYSA-N
XLogP2.17
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)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

N-[4-(cyanomethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208243
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide
CID 103208726
N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205444
N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 103211679
(E)-3-[4-[3-(2,2-difluoroethoxy)propanoylamino]phenyl]prop-2-enoic acid
CID 103205841
N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29001508
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide (CID 82005179) is N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide is N#Cc1ccc(NC(=O)CCOCC(F)F)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is KAFBEVLWSPBRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c13-11(14)8-18-6-5-12(17)16-10-3-1-9(7-15)2-4-10/h1-4,11H,5-6,8H2,(H,16,17).
What are the key properties of N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 254.24 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 82005179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).