N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide

C14H24F2N2O2 — CID 130396743

IUPACN-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(=O)NC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C14H24F2N2O2/c1-13(2,3)11(19)18-14(7-5-4-6-8-14)12(20)17-9-10(15)16/h10H,4-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyYFUIWAYALFLRSD-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.23
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide

N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide (PubChem CID 130396743) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide
PubChem CID130396743
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC NameN-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(=O)NC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C14H24F2N2O2/c1-13(2,3)11(19)18-14(7-5-4-6-8-14)12(20)17-9-10(15)16/h10H,4-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyYFUIWAYALFLRSD-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide (CID 130396743) is N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide is CC(C)(C)C(=O)NC1(C(=O)NCC(F)F)CCCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide?
The InChIKey is YFUIWAYALFLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-13(2,3)11(19)18-14(7-5-4-6-8-14)12(20)17-9-10(15)16/h10H,4-9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide?
N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(2,2-dimethylpropanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 130396743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).