2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide

C18H19BrN2O — CID 4134592

IUPAC2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide
SMILESCCC=C(NNC(=O)c1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C18H19BrN2O/c1-3-6-17(14-11-9-13(2)10-12-14)20-21-18(22)15-7-4-5-8-16(15)19/h4-12,20H,3H2,1-2H3,(H,21,22)
InChIKeySPPINQWAUJOUCF-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.44
Rot. Bonds5

About 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide

2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide (PubChem CID 4134592) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide
PubChem CID4134592
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide
SMILESCCC=C(NNC(=O)c1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C18H19BrN2O/c1-3-6-17(14-11-9-13(2)10-12-14)20-21-18(22)15-7-4-5-8-16(15)19/h4-12,20H,3H2,1-2H3,(H,21,22)
InChIKeySPPINQWAUJOUCF-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide (CID 4134592) is 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide is CCC=C(NNC(=O)c1ccccc1Br)c1ccc(C)cc1.
What is the InChIKey of 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide?
The InChIKey is SPPINQWAUJOUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-3-6-17(14-11-9-13(2)10-12-14)20-21-18(22)15-7-4-5-8-16(15)19/h4-12,20H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide?
2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide has a molecular weight of 359.27 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[1-(4-methylphenyl)but-1-enyl]benzohydrazide is sourced from PubChem (CID 4134592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).