2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide

C17H15ClFN3O4 — CID 7666973

IUPAC2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15ClFN3O4/c1-25-15-7-2-11(18)8-14(15)22-16(23)9-20-26-10-17(24)21-13-5-3-12(19)4-6-13/h2-9H,10H2,1H3,(H,21,24)(H,22,23)/b20-9-
InChIKeyNKSXPOJEJSUCJT-UKWGHVSLSA-N
MW379.78 g/mol
LogP3.07
Rot. Bonds7

About 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide

2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide (PubChem CID 7666973) has the molecular formula C17H15ClFN3O4 and a molecular weight of 379.78 g/mol. Its IUPAC name is 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide
PubChem CID7666973
Molecular FormulaC17H15ClFN3O4
Molecular Weight379.78 g/mol
Exact Mass379.07
IUPAC Name2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15ClFN3O4/c1-25-15-7-2-11(18)8-14(15)22-16(23)9-20-26-10-17(24)21-13-5-3-12(19)4-6-13/h2-9H,10H2,1H3,(H,21,24)(H,22,23)/b20-9-
InChIKeyNKSXPOJEJSUCJT-UKWGHVSLSA-N
XLogP3.07
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 53.07
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'}

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Related Compounds

2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 7666877
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666981
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666986
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide
CID 7666999
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261210
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60528918
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7667186
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-phenylmethoxyiminoacetamide
CID 7666843
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenoxy)ethoxyimino]acetamide
CID 7667218
N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 7644389
N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide
CID 42967676

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide (CID 7666973) is 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide is COc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide?
The InChIKey is NKSXPOJEJSUCJT-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H15ClFN3O4/c1-25-15-7-2-11(18)8-14(15)22-16(23)9-20-26-10-17(24)21-13-5-3-12(19)4-6-13/h2-9H,10H2,1H3,(H,21,24)(H,22,23)/b20-9-.
What are the key properties of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide?
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide has a molecular weight of 379.78 g/mol, XLogP of 3.07, 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7666973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).