4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide

C14H17BrN2O2 — CID 875188

IUPAC4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2/c15-12-8-6-11(7-9-12)14(19)17-16-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,18)(H,17,19)
InChIKeyZUORSWVZRKYZSA-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.79
Rot. Bonds2

About 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide

4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide (PubChem CID 875188) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide
PubChem CID875188
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2/c15-12-8-6-11(7-9-12)14(19)17-16-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,18)(H,17,19)
InChIKeyZUORSWVZRKYZSA-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.79
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 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide (CID 875188) is 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide is O=C(NNC(=O)C1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide?
The InChIKey is ZUORSWVZRKYZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-12-8-6-11(7-9-12)14(19)17-16-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide?
4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide has a molecular weight of 325.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(cyclohexanecarbonyl)benzohydrazide is sourced from PubChem (CID 875188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).