N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide

C12H18F2N2O2 — CID 103208279

IUPACN-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
SMILESN#CCN(C(=O)CCOCC(F)F)C1CCCC1
InChIInChI=1S/C12H18F2N2O2/c13-11(14)9-18-8-5-12(17)16(7-6-15)10-3-1-2-4-10/h10-11H,1-5,7-9H2
InChIKeyWMEXVBBNRCNVJX-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.95
Rot. Bonds7

About N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide

N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208279) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208279
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC NameN-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
SMILESN#CCN(C(=O)CCOCC(F)F)C1CCCC1
InChIInChI=1S/C12H18F2N2O2/c13-11(14)9-18-8-5-12(17)16(7-6-15)10-3-1-2-4-10/h10-11H,1-5,7-9H2
InChIKeyWMEXVBBNRCNVJX-UHFFFAOYSA-N
XLogP1.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide (CID 103208279) is N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide is N#CCN(C(=O)CCOCC(F)F)C1CCCC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is WMEXVBBNRCNVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c13-11(14)9-18-8-5-12(17)16(7-6-15)10-3-1-2-4-10/h10-11H,1-5,7-9H2.
What are the key properties of N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 260.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).