1-(3-bromophenyl)cyclohexane-1-carbohydrazide

C13H17BrN2O — CID 116844534

IUPAC1-(3-bromophenyl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C13H17BrN2O/c14-11-6-4-5-10(9-11)13(12(17)16-15)7-2-1-3-8-13/h4-6,9H,1-3,7-8,15H2,(H,16,17)
InChIKeyRHTKVXJUXAOPLN-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.64
Rot. Bonds2

About 1-(3-bromophenyl)cyclohexane-1-carbohydrazide

1-(3-bromophenyl)cyclohexane-1-carbohydrazide (PubChem CID 116844534) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-bromophenyl)cyclohexane-1-carbohydrazide
PubChem CID116844534
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(3-bromophenyl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C13H17BrN2O/c14-11-6-4-5-10(9-11)13(12(17)16-15)7-2-1-3-8-13/h4-6,9H,1-3,7-8,15H2,(H,16,17)
InChIKeyRHTKVXJUXAOPLN-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
CID 155749454
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
CID 119475744
1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide
CID 119457804
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844512
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 1-(3-bromophenyl)cyclohexane-1-carbohydrazide (CID 116844534) is 1-(3-bromophenyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-(3-bromophenyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 1-(3-bromophenyl)cyclohexane-1-carbohydrazide is NNC(=O)C1(c2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-(3-bromophenyl)cyclohexane-1-carbohydrazide?
The InChIKey is RHTKVXJUXAOPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-6-4-5-10(9-11)13(12(17)16-15)7-2-1-3-8-13/h4-6,9H,1-3,7-8,15H2,(H,16,17).
What are the key properties of 1-(3-bromophenyl)cyclohexane-1-carbohydrazide?
1-(3-bromophenyl)cyclohexane-1-carbohydrazide has a molecular weight of 297.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 116844534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).