1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide

C13H18F2N2O2 — CID 164641465

IUPAC1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)CCCC1
InChIInChI=1S/C13H18F2N2O2/c14-13(15)7-3-4-9(10(13)18)17-11(19)12(8-16)5-1-2-6-12/h9-10,18H,1-7H2,(H,17,19)/t9-,10+/m1/s1
InChIKeyLPIOXLZOVKVREZ-ZJUUUORDSA-N
MW272.29 g/mol
LogP1.74
Rot. Bonds2

About 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide

1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide (PubChem CID 164641465) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
PubChem CID164641465
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)CCCC1
InChIInChI=1S/C13H18F2N2O2/c14-13(15)7-3-4-9(10(13)18)17-11(19)12(8-16)5-1-2-6-12/h9-10,18H,1-7H2,(H,17,19)/t9-,10+/m1/s1
InChIKeyLPIOXLZOVKVREZ-ZJUUUORDSA-N
XLogP1.74
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 80592030
1-cyano-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
CID 78994479
1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 114121545
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923
1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide
CID 55031136
cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol
CID 154938165
1-cyano-N-(1-oxothian-4-yl)cyclohexane-1-carboxamide
CID 115886715
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide
CID 80592450
1-cyano-N',N'-dimethylcyclohexane-1-carbohydrazide
CID 78974832
1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
CID 64749617

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide (CID 164641465) is 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide is N#CC1(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)CCCC1.
What is the InChIKey of 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide?
The InChIKey is LPIOXLZOVKVREZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-13(15)7-3-4-9(10(13)18)17-11(19)12(8-16)5-1-2-6-12/h9-10,18H,1-7H2,(H,17,19)/t9-,10+/m1/s1.
What are the key properties of 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide?
1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 164641465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).