N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C17H22BrN3O2 — CID 4925152

IUPACN-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H22BrN3O2/c1-12(13-7-9-15(18)10-8-13)20-21-16(22)11-19-17(23)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyLSQSNDYHWJQVGF-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.99
Rot. Bonds5

About N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925152) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925152
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC NameN-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H22BrN3O2/c1-12(13-7-9-15(18)10-8-13)20-21-16(22)11-19-17(23)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyLSQSNDYHWJQVGF-UHFFFAOYSA-N
XLogP2.99
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide 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

N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961
CID 25108278
CID 25108278
2,2-Diphenyl-N-({N'-[(1E)-1-phenylethylidene]hydrazinecarbonyl}methyl)acetamide
CID 5339599
2-Bromo-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-benzamide
CID 5374914
N-[(1E)-2-(4-bromophenyl)-1-azaprop-1-enyl]-3-phenylpropanamide
CID 5409588
4-Bromo-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-benzamide
CID 6110424
(3S,4R)-4-(3-bromophenyl)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxopyrrolidine-3-carboxamide
CID 25108340
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
CID 145965910
N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 16003183
N-heptyl-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968344
N-[2-(dimethylamino)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
CID 15994478
N-{3-[Bis(2-methylpropyl)amino]propyl}-2-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-YL)acetamide
CID 16034204

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4925152) is N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is CC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is LSQSNDYHWJQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-12(13-7-9-15(18)10-8-13)20-21-16(22)11-19-17(23)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 380.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).