N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide

C15H14BrFN2O — CID 102318605

IUPACN'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide
SMILESCC(=O)NN(Cc1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C15H14BrFN2O/c1-11(20)18-19(14-5-3-2-4-6-14)10-12-9-13(17)7-8-15(12)16/h2-9H,10H2,1H3,(H,18,20)
InChIKeyZBPPTXALAUZPLP-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.65
Rot. Bonds4

About N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide

N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide (PubChem CID 102318605) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide
PubChem CID102318605
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide
SMILESCC(=O)NN(Cc1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C15H14BrFN2O/c1-11(20)18-19(14-5-3-2-4-6-14)10-12-9-13(17)7-8-15(12)16/h2-9H,10H2,1H3,(H,18,20)
InChIKeyZBPPTXALAUZPLP-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.65
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-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793090
3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
CID 116563898
3-[N-[(5-fluoro-2-methylphenyl)methyl]anilino]propanoic acid
CID 105372393
(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid
CID 104875993
6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 47063585
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide?
The IUPAC name of N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide (CID 102318605) is N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide.
What is the SMILES notation for N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide?
The canonical SMILES for N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide is CC(=O)NN(Cc1cc(F)ccc1Br)c1ccccc1.
What is the InChIKey of N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide?
The InChIKey is ZBPPTXALAUZPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-11(20)18-19(14-5-3-2-4-6-14)10-12-9-13(17)7-8-15(12)16/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide?
N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide has a molecular weight of 337.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromo-5-fluorophenyl)methyl]-N'-phenylacetohydrazide is sourced from PubChem (CID 102318605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).