N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide

C17H17BrN2O3 — CID 7969162

IUPACN'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
SMILESO=C(CCCOc1cccc(Br)c1)NNC(=O)c1ccccc1
InChIInChI=1S/C17H17BrN2O3/c18-14-8-4-9-15(12-14)23-11-5-10-16(21)19-20-17(22)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,19,21)(H,20,22)
InChIKeyDCLWNJBULVFWQN-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.07
Rot. Bonds6

About N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide

N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide (PubChem CID 7969162) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
PubChem CID7969162
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
SMILESO=C(CCCOc1cccc(Br)c1)NNC(=O)c1ccccc1
InChIInChI=1S/C17H17BrN2O3/c18-14-8-4-9-15(12-14)23-11-5-10-16(21)19-20-17(22)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,19,21)(H,20,22)
InChIKeyDCLWNJBULVFWQN-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31598036
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
N-(2-amino-2-oxo-1-phenylethyl)-4-(3-bromophenoxy)butanamide
CID 51308711
1-(4-benzoylpiperazin-1-yl)-4-(3-bromophenoxy)butan-1-one
CID 112792150
4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4795371
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N'-[4-(2-methoxyethoxy)butanoyl]benzohydrazide
CID 47365652
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide?
The IUPAC name of N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide (CID 7969162) is N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide?
The canonical SMILES for N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide is O=C(CCCOc1cccc(Br)c1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide?
The InChIKey is DCLWNJBULVFWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-14-8-4-9-15(12-14)23-11-5-10-16(21)19-20-17(22)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide?
N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide has a molecular weight of 377.24 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 7969162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).