N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide

C10H17F2N3O2 — CID 104871088

IUPACN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(CC(F)F)C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C10H17F2N3O2/c1-15(6-7(11)12)9(16)10(8(13)14-17)4-2-3-5-10/h7,17H,2-6H2,1H3,(H2,13,14)
InChIKeyZYDSVSRBPSDKKB-UHFFFAOYSA-N
MW249.26 g/mol
LogP1.02
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide

N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 104871088) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
PubChem CID104871088
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC NameN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(CC(F)F)C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C10H17F2N3O2/c1-15(6-7(11)12)9(16)10(8(13)14-17)4-2-3-5-10/h7,17H,2-6H2,1H3,(H2,13,14)
InChIKeyZYDSVSRBPSDKKB-UHFFFAOYSA-N
XLogP1.02
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 55037775
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76207674
1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76919853
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 76920059
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 76920728
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 76920818
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76920820
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76921167
1-(N'-hydroxycarbamimidoyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76921222
1-(N'-hydroxycarbamimidoyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 76921273
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76921324
1-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76921325

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide (CID 104871088) is N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide is CN(CC(F)F)C(=O)C1(C(N)=NO)CCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is ZYDSVSRBPSDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-15(6-7(11)12)9(16)10(8(13)14-17)4-2-3-5-10/h7,17H,2-6H2,1H3,(H2,13,14).
What are the key properties of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide?
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 249.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 104871088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).