N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

C12H19F2N3O2 — CID 107485095

IUPACN-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESN#CC1(NC(=O)CN(CCO)CC(F)F)CCCC1
InChIInChI=1S/C12H19F2N3O2/c13-10(14)7-17(5-6-18)8-11(19)16-12(9-15)3-1-2-4-12/h10,18H,1-8H2,(H,16,19)
InChIKeyUVVPQVOBOVJTQJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.50
Rot. Bonds7

About N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107485095) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107485095
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC NameN-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESN#CC1(NC(=O)CN(CCO)CC(F)F)CCCC1
InChIInChI=1S/C12H19F2N3O2/c13-10(14)7-17(5-6-18)8-11(19)16-12(9-15)3-1-2-4-12/h10,18H,1-8H2,(H,16,19)
InChIKeyUVVPQVOBOVJTQJ-UHFFFAOYSA-N
XLogP0.50
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107485095) is N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is N#CC1(NC(=O)CN(CCO)CC(F)F)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is UVVPQVOBOVJTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c13-10(14)7-17(5-6-18)8-11(19)16-12(9-15)3-1-2-4-12/h10,18H,1-8H2,(H,16,19).
What are the key properties of N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 275.30 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107485095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).