3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide

C12H18FN3O — CID 55214641

IUPAC3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FN3O/c1-9(7-12(17)15-14)16(2)8-10-3-5-11(13)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyRJGLDCHQEZPGAQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.03
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide

3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide (PubChem CID 55214641) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
PubChem CID55214641
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FN3O/c1-9(7-12(17)15-14)16(2)8-10-3-5-11(13)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyRJGLDCHQEZPGAQ-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
CID 63579697
3-[(3-cyanophenyl)methyl-methylamino]butanehydrazide
CID 63583351
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 50970573
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
2-[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351728
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide?
The IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide (CID 55214641) is 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide is CC(CC(=O)NN)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide?
The InChIKey is RJGLDCHQEZPGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9(7-12(17)15-14)16(2)8-10-3-5-11(13)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide?
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide has a molecular weight of 239.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide is sourced from PubChem (CID 55214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).