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

C13H22F2N2O2 — CID 144904659

IUPACN-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide
SMILESCC(C)C(=O)NC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C13H22F2N2O2/c1-9(2)11(18)17-13(6-4-3-5-7-13)12(19)16-8-10(14)15/h9-10H,3-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYYJFPNPVGUKMNJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.84
Rot. Bonds5

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

N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide (PubChem CID 144904659) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide
PubChem CID144904659
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC NameN-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide
SMILESCC(C)C(=O)NC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C13H22F2N2O2/c1-9(2)11(18)17-13(6-4-3-5-7-13)12(19)16-8-10(14)15/h9-10H,3-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYYJFPNPVGUKMNJ-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11543222
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CID 16187659
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CID 127054393
N-2,3-difluorobenzoyl-L-leucine-glycine nitrile (22)
CID 127054394
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CID 800131
N-[2-(cyclohexylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 800535
1-[(N-acetylglycyl)amino]-N-cyclopentylcyclohexanecarboxamide
CID 3242198
1-amino-N-butylcyclohexane-1-carboxamide
CID 24690155
1-amino-N-propylcyclohexane-1-carboxamide
CID 24701829
(2S)-2-amino-N-[(2S)-1-(butylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-methylbutanamide
CID 10758455
N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 110196347
N-(cyanomethyl)-1-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 90665731

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide (CID 144904659) is N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide is CC(C)C(=O)NC1(C(=O)NCC(F)F)CCCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide?
The InChIKey is YYJFPNPVGUKMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-9(2)11(18)17-13(6-4-3-5-7-13)12(19)16-8-10(14)15/h9-10H,3-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide?
N-(2,2-difluoroethyl)-1-(2-methylpropanoylamino)cyclohexane-1-carboxamide has a molecular weight of 276.33 g/mol, XLogP of 1.84, 5 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-methylpropanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 144904659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).