3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide

C10H12BrFN2O — CID 116846409

IUPAC3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c1-13-14-10(15)5-2-7-6-8(11)3-4-9(7)12/h3-4,6,13H,2,5H2,1H3,(H,14,15)
InChIKeyVIQNVPHXNZBFOS-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.77
Rot. Bonds4

About 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide

3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide (PubChem CID 116846409) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide
PubChem CID116846409
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O/c1-13-14-10(15)5-2-7-6-8(11)3-4-9(7)12/h3-4,6,13H,2,5H2,1H3,(H,14,15)
InChIKeyVIQNVPHXNZBFOS-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-difluorophenyl)-N'-methylpropanehydrazide
CID 116846361
4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one
CID 62320547
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 115005644
3-(5-bromo-2-methylphenyl)-N-methylpropanamide
CID 175640047
2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
2-(5-chloro-2-fluorophenyl)-N'-methylacetohydrazide
CID 116846232
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
CID 115191354
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
CID 115171319
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide (CID 116846409) is 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide is CNNC(=O)CCc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide?
The InChIKey is VIQNVPHXNZBFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-13-14-10(15)5-2-7-6-8(11)3-4-9(7)12/h3-4,6,13H,2,5H2,1H3,(H,14,15).
What are the key properties of 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide?
3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide has a molecular weight of 275.12 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116846409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).