4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide

C13H19FN2O — CID 116847682

IUPAC4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
SMILESCc1cc(CCCC(=O)NN(C)C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-10-9-11(7-8-12(10)14)5-4-6-13(17)15-16(2)3/h7-9H,4-6H2,1-3H3,(H,15,17)
InChIKeyRRTOTIGIUGKBAR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.05
Rot. Bonds5

About 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide

4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide (PubChem CID 116847682) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
PubChem CID116847682
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
SMILESCc1cc(CCCC(=O)NN(C)C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-10-9-11(7-8-12(10)14)5-4-6-13(17)15-16(2)3/h7-9H,4-6H2,1-3H3,(H,15,17)
InChIKeyRRTOTIGIUGKBAR-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide
CID 116847673
5-(4-ethylphenyl)-N',N'-dimethylpentanehydrazide
CID 116847774
N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide
CID 116847805
4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847676
5-(2,3-dihydro-1H-inden-5-yl)-N',N'-dimethylpentanehydrazide
CID 116847788
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
CID 116847733
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140036
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
1-chloro-4-(4-fluoro-3-methylphenyl)butan-2-one
CID 134085976
N',N'-dimethyl-3-(6-methylnaphthalen-2-yl)propanehydrazide
CID 116847656
5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
CID 116846626

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide (CID 116847682) is 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide is Cc1cc(CCCC(=O)NN(C)C)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide?
The InChIKey is RRTOTIGIUGKBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-9-11(7-8-12(10)14)5-4-6-13(17)15-16(2)3/h7-9H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide?
4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide has a molecular weight of 238.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide is sourced from PubChem (CID 116847682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).