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

C18H20ClFN3O3+ — CID 8709229

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1F
InChIInChI=1S/C18H19ClFN3O3/c1-23(10-13-4-2-3-5-16(13)20)11-17(24)21-22-18(25)12-26-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)/p+1
InChIKeySHIVSZQHGDRXJQ-UHFFFAOYSA-O
MW380.83 g/mol
LogP0.72
Rot. Bonds7

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

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium (PubChem CID 8709229) has the molecular formula C18H20ClFN3O3+ and a molecular weight of 380.83 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
PubChem CID8709229
Molecular FormulaC18H20ClFN3O3+
Molecular Weight380.83 g/mol
Exact Mass380.12
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1F
InChIInChI=1S/C18H19ClFN3O3/c1-23(10-13-4-2-3-5-16(13)20)11-17(24)21-22-18(25)12-26-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)/p+1
InChIKeySHIVSZQHGDRXJQ-UHFFFAOYSA-O
XLogP0.72
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 50.72
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
N'-[2-(4-chlorophenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163587
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium
CID 7998367
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252186
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium (CID 8709229) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium is C[NH+](CC(=O)NNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1F.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The InChIKey is SHIVSZQHGDRXJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19ClFN3O3/c1-23(10-13-4-2-3-5-16(13)20)11-17(24)21-22-18(25)12-26-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium has a molecular weight of 380.83 g/mol, XLogP of 0.72, 7 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]-[(2-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8709229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).