3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide

C18H19BrN2O — CID 2177317

IUPAC3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide
SMILESCCC/C=C(\NNC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H19BrN2O/c1-2-3-12-17(14-8-5-4-6-9-14)20-21-18(22)15-10-7-11-16(19)13-15/h4-13,20H,2-3H2,1H3,(H,21,22)/b17-12-
InChIKeyZYEVJCKBTAOOSD-ATVHPVEESA-N
MW359.27 g/mol
LogP4.52
Rot. Bonds6

About 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide

3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide (PubChem CID 2177317) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide
PubChem CID2177317
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide
SMILESCCC/C=C(\NNC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H19BrN2O/c1-2-3-12-17(14-8-5-4-6-9-14)20-21-18(22)15-10-7-11-16(19)13-15/h4-13,20H,2-3H2,1H3,(H,21,22)/b17-12-
InChIKeyZYEVJCKBTAOOSD-ATVHPVEESA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.52
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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide?
The IUPAC name of 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide (CID 2177317) is 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide.
What is the SMILES notation for 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide?
The canonical SMILES for 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide is CCC/C=C(\NNC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide?
The InChIKey is ZYEVJCKBTAOOSD-ATVHPVEESA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-2-3-12-17(14-8-5-4-6-9-14)20-21-18(22)15-10-7-11-16(19)13-15/h4-13,20H,2-3H2,1H3,(H,21,22)/b17-12-.
What are the key properties of 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide?
3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide has a molecular weight of 359.27 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide is sourced from PubChem (CID 2177317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).