[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium

C17H25ClN3O3+ — CID 7998367

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium
SMILESC[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C17H24ClN3O3/c1-21(14-5-3-2-4-6-14)11-16(22)19-20-17(23)12-24-15-9-7-13(18)8-10-15/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)(H,20,23)/p+1
InChIKeyDESPVMJIQGPRJF-UHFFFAOYSA-O
MW354.86 g/mol
LogP0.71
Rot. Bonds6

About [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium (PubChem CID 7998367) has the molecular formula C17H25ClN3O3+ and a molecular weight of 354.86 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium
PubChem CID7998367
Molecular FormulaC17H25ClN3O3+
Molecular Weight354.86 g/mol
Exact Mass354.16
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium
SMILESC[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C17H24ClN3O3/c1-21(14-5-3-2-4-6-14)11-16(22)19-20-17(23)12-24-15-9-7-13(18)8-10-15/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)(H,20,23)/p+1
InChIKeyDESPVMJIQGPRJF-UHFFFAOYSA-O
XLogP0.71
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053233
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8709229
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
CID 8549897
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
cyclohexyl 2-(4-chlorophenoxy)acetate
CID 836188
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium (CID 7998367) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium is C[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium?
The InChIKey is DESPVMJIQGPRJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24ClN3O3/c1-21(14-5-3-2-4-6-14)11-16(22)19-20-17(23)12-24-15-9-7-13(18)8-10-15/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)(H,20,23)/p+1.
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium has a molecular weight of 354.86 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium is sourced from PubChem (CID 7998367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).