N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide

C14H15ClFN3O2 — CID 94847568

IUPACN'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide
SMILESO=C(N/N=C/c1c(F)cccc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C14H15ClFN3O2/c15-11-6-3-7-12(16)10(11)8-17-19-14(21)13(20)18-9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,18,20)(H,19,21)/b17-8+
InChIKeyJSJGBYYZSHRWOP-CAOOACKPSA-N
MW311.74 g/mol
LogP1.99
Rot. Bonds3

About N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide

N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide (PubChem CID 94847568) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide.

Molecular Properties

Compound NameN'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide
PubChem CID94847568
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC NameN'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide
SMILESO=C(N/N=C/c1c(F)cccc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C14H15ClFN3O2/c15-11-6-3-7-12(16)10(11)8-17-19-14(21)13(20)18-9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,18,20)(H,19,21)/b17-8+
InChIKeyJSJGBYYZSHRWOP-CAOOACKPSA-N
XLogP1.99
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-azepanyl)-N'-(2-chloro-6-fluorobenzylidene)-2-oxoacetohydrazide
CID 6871267
N-cyclopropyl-2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazino]-2-oxoacetamide
CID 9600047
1-Piperidineacetic acid, alpha-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 5333302
2-(2-Chloro-benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9563177
N-cyclopropyl-2-[(2E)-2-(2,4-dichlorobenzylidene)hydrazino]-2-oxoacetamide
CID 9600045
2-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-2-oxo-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 9597875
L-Proline, 5-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589039
L-Proline, 5-oxo-, (1-(2-chlorophenyl)ethylidene)hydrazide, hydrate, (E)-
CID 9589040
N'-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-N-(methylethyl)propane-1,3-di amide
CID 9594312
(2S)-N-[(E)-[2-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 156015767
(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 156017191
(2S)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 156020385

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide?
The IUPAC name of N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide (CID 94847568) is N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide.
What is the SMILES notation for N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide?
The canonical SMILES for N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide is O=C(N/N=C/c1c(F)cccc1Cl)C(=O)NC1CCCC1.
What is the InChIKey of N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide?
The InChIKey is JSJGBYYZSHRWOP-CAOOACKPSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c15-11-6-3-7-12(16)10(11)8-17-19-14(21)13(20)18-9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,18,20)(H,19,21)/b17-8+.
What are the key properties of N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide?
N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide has a molecular weight of 311.74 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide is sourced from PubChem (CID 94847568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).