N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide

C12H14F2N2O2 — CID 110016513

IUPACN'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide
SMILESO=C(NNc1c(F)cccc1F)C1CCCC1O
InChIInChI=1S/C12H14F2N2O2/c13-8-4-2-5-9(14)11(8)15-16-12(18)7-3-1-6-10(7)17/h2,4-5,7,10,15,17H,1,3,6H2,(H,16,18)
InChIKeyOXFKLHBONFMMEA-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.57
Rot. Bonds3

About N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide

N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide (PubChem CID 110016513) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide
PubChem CID110016513
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC NameN'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide
SMILESO=C(NNc1c(F)cccc1F)C1CCCC1O
InChIInChI=1S/C12H14F2N2O2/c13-8-4-2-5-9(14)11(8)15-16-12(18)7-3-1-6-10(7)17/h2,4-5,7,10,15,17H,1,3,6H2,(H,16,18)
InChIKeyOXFKLHBONFMMEA-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-difluorophenyl)acetohydrazide
CID 54757663
N'-(2-hydroxycyclopentanecarbonyl)benzohydrazide
CID 110013610
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014979
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014064
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
N-(2-fluoro-5-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013794
2-amino-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 82235722
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132549
cis-(1R,2S)-2-hydroxycyclopentane-1-carbohydrazide
CID 14687010
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide?
The IUPAC name of N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide (CID 110016513) is N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide?
The canonical SMILES for N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide is O=C(NNc1c(F)cccc1F)C1CCCC1O.
What is the InChIKey of N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide?
The InChIKey is OXFKLHBONFMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-8-4-2-5-9(14)11(8)15-16-12(18)7-3-1-6-10(7)17/h2,4-5,7,10,15,17H,1,3,6H2,(H,16,18).
What are the key properties of N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide?
N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide has a molecular weight of 256.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-2-hydroxycyclopentane-1-carbohydrazide is sourced from PubChem (CID 110016513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).