N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide

C13H14F2N2O3 — CID 103208208

IUPACN-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide
SMILESN#CCOc1ccccc1NC(=O)CCOCC(F)F
InChIInChI=1S/C13H14F2N2O3/c14-12(15)9-19-7-5-13(18)17-10-3-1-2-4-11(10)20-8-6-16/h1-4,12H,5,7-9H2,(H,17,18)
InChIKeyHWDUJLYENUENGU-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.20
Rot. Bonds8

About N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide

N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208208) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208208
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC NameN-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide
SMILESN#CCOc1ccccc1NC(=O)CCOCC(F)F
InChIInChI=1S/C13H14F2N2O3/c14-12(15)9-19-7-5-13(18)17-10-3-1-2-4-11(10)20-8-6-16/h1-4,12H,5,7-9H2,(H,17,18)
InChIKeyHWDUJLYENUENGU-UHFFFAOYSA-N
XLogP2.20
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide
CID 103206316
N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
CID 63832381
N-[4-(cyanomethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208243
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208294
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide (CID 103208208) is N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide is N#CCOc1ccccc1NC(=O)CCOCC(F)F.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is HWDUJLYENUENGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-12(15)9-19-7-5-13(18)17-10-3-1-2-4-11(10)20-8-6-16/h1-4,12H,5,7-9H2,(H,17,18).
What are the key properties of N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide?
N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 284.26 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).