2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide

C16H20ClN3O4 — CID 7666999

IUPAC2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)NC1CCCC1
InChIInChI=1S/C16H20ClN3O4/c1-23-14-7-6-11(17)8-13(14)20-15(21)9-18-24-10-16(22)19-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,19,22)(H,20,21)/b18-9-
InChIKeyPSRACCVLQUKBPJ-NVMNQCDNSA-N
MW353.81 g/mol
LogP2.35
Rot. Bonds7

About 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide

2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide (PubChem CID 7666999) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide
PubChem CID7666999
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)NC1CCCC1
InChIInChI=1S/C16H20ClN3O4/c1-23-14-7-6-11(17)8-13(14)20-15(21)9-18-24-10-16(22)19-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,19,22)(H,20,21)/b18-9-
InChIKeyPSRACCVLQUKBPJ-NVMNQCDNSA-N
XLogP2.35
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide 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

2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7667186
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide
CID 7666973
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 7666877
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666986
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666981
N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7667368
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-phenylmethoxyiminoacetamide
CID 7666843
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenoxy)ethoxyimino]acetamide
CID 7667218
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
CID 43083885
N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide?
The IUPAC name of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide (CID 7666999) is 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide?
The canonical SMILES for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide is COc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)NC1CCCC1.
What is the InChIKey of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide?
The InChIKey is PSRACCVLQUKBPJ-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-23-14-7-6-11(17)8-13(14)20-15(21)9-18-24-10-16(22)19-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,19,22)(H,20,21)/b18-9-.
What are the key properties of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide?
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide has a molecular weight of 353.81 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide is sourced from PubChem (CID 7666999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).