4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide

C12H15FN2O2 — CID 9163716

IUPAC4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
SMILESCN(C)NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-15(2)14-12(17)8-7-11(16)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyAZVWUNJBRDAMAW-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.38
Rot. Bonds5

About 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide

4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide (PubChem CID 9163716) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
PubChem CID9163716
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
SMILESCN(C)NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-15(2)14-12(17)8-7-11(16)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyAZVWUNJBRDAMAW-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
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-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110303265
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]-methylamino]propanoic acid
CID 119362286
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
1-(4-fluorophenyl)-4-methylpent-4-en-1-one
CID 70328582
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795547
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide?
The IUPAC name of 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide (CID 9163716) is 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide.
What is the SMILES notation for 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide?
The canonical SMILES for 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide is CN(C)NC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide?
The InChIKey is AZVWUNJBRDAMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-15(2)14-12(17)8-7-11(16)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide?
4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide has a molecular weight of 238.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide is sourced from PubChem (CID 9163716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).