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

C13H24F2N2O2 — CID 107485161

IUPACN-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)CC(F)F)NC1CCCCCC1
InChIInChI=1S/C13H24F2N2O2/c14-12(15)9-17(7-8-18)10-13(19)16-11-5-3-1-2-4-6-11/h11-12,18H,1-10H2,(H,16,19)
InChIKeyGTFCGWBUIWWGTA-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.38
Rot. Bonds7

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

N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107485161) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107485161
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC NameN-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)CC(F)F)NC1CCCCCC1
InChIInChI=1S/C13H24F2N2O2/c14-12(15)9-17(7-8-18)10-13(19)16-11-5-3-1-2-4-6-11/h11-12,18H,1-10H2,(H,16,19)
InChIKeyGTFCGWBUIWWGTA-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107485161) is N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is O=C(CN(CCO)CC(F)F)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is GTFCGWBUIWWGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c14-12(15)9-17(7-8-18)10-13(19)16-11-5-3-1-2-4-6-11/h11-12,18H,1-10H2,(H,16,19).
What are the key properties of N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107485161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).