4-bromo-N'-pentylbenzohydrazide

C12H17BrN2O — CID 117094790

IUPAC4-bromo-N'-pentylbenzohydrazide
SMILESCCCCCNNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-2-3-4-9-14-15-12(16)10-5-7-11(13)8-6-10/h5-8,14H,2-4,9H2,1H3,(H,15,16)
InChIKeyFSOILGKPVXNZLM-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.87
Rot. Bonds6

About 4-bromo-N'-pentylbenzohydrazide

4-bromo-N'-pentylbenzohydrazide (PubChem CID 117094790) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 4-bromo-N'-pentylbenzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-pentylbenzohydrazide
PubChem CID117094790
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name4-bromo-N'-pentylbenzohydrazide
SMILESCCCCCNNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-2-3-4-9-14-15-12(16)10-5-7-11(13)8-6-10/h5-8,14H,2-4,9H2,1H3,(H,15,16)
InChIKeyFSOILGKPVXNZLM-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-pentylbenzohydrazide?
The IUPAC name of 4-bromo-N'-pentylbenzohydrazide (CID 117094790) is 4-bromo-N'-pentylbenzohydrazide.
What is the SMILES notation for 4-bromo-N'-pentylbenzohydrazide?
The canonical SMILES for 4-bromo-N'-pentylbenzohydrazide is CCCCCNNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-pentylbenzohydrazide?
The InChIKey is FSOILGKPVXNZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-3-4-9-14-15-12(16)10-5-7-11(13)8-6-10/h5-8,14H,2-4,9H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N'-pentylbenzohydrazide?
4-bromo-N'-pentylbenzohydrazide has a molecular weight of 285.18 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-pentylbenzohydrazide is sourced from PubChem (CID 117094790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).