5-(3,4-difluorophenyl)-N'-methylpentanehydrazide

C12H16F2N2O — CID 116846626

IUPAC5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
SMILESCNNC(=O)CCCCc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-15-16-12(17)5-3-2-4-9-6-7-10(13)11(14)8-9/h6-8,15H,2-5H2,1H3,(H,16,17)
InChIKeyFZGUNLAKXUEAHB-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.93
Rot. Bonds6

About 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide

5-(3,4-difluorophenyl)-N'-methylpentanehydrazide (PubChem CID 116846626) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
PubChem CID116846626
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
SMILESCNNC(=O)CCCCc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-15-16-12(17)5-3-2-4-9-6-7-10(13)11(14)8-9/h6-8,15H,2-5H2,1H3,(H,16,17)
InChIKeyFZGUNLAKXUEAHB-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-difluorophenyl)pentanehydrazide
CID 116843725
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
2-[4-(3,4-difluorophenyl)butanoylamino]pentanoic acid
CID 82224521
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
5-(3,4-difluorophenyl)pentanal
CID 82255703
6-bromo-1-(3,4-difluorophenyl)hexan-3-one
CID 106798827
4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847682
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
4-(5-bromopentyl)-1,2-difluorobenzene
CID 57182682

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide?
The IUPAC name of 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide (CID 116846626) is 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide is CNNC(=O)CCCCc1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide?
The InChIKey is FZGUNLAKXUEAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-15-16-12(17)5-3-2-4-9-6-7-10(13)11(14)8-9/h6-8,15H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide?
5-(3,4-difluorophenyl)-N'-methylpentanehydrazide has a molecular weight of 242.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N'-methylpentanehydrazide is sourced from PubChem (CID 116846626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).