1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide

C14H19BrN2O2 — CID 116844512

IUPAC1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CCCCC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-19-12-6-5-10(9-11(12)15)14(13(18)17-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18)
InChIKeyCLBHSFWFKCFUCA-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.65
Rot. Bonds3

About 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide

1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide (PubChem CID 116844512) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
PubChem CID116844512
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CCCCC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-19-12-6-5-10(9-11(12)15)14(13(18)17-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18)
InChIKeyCLBHSFWFKCFUCA-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
methyl 1-(3-bromo-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963863
1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide (CID 116844512) is 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide is COc1ccc(C2(C(=O)NN)CCCCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide?
The InChIKey is CLBHSFWFKCFUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-12-6-5-10(9-11(12)15)14(13(18)17-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18).
What are the key properties of 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide?
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide has a molecular weight of 327.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 116844512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).