N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide

C16H12ClFN4O5 — CID 7666459

IUPACN-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESO=C(/C=N\OCC(=O)Nc1ccc(Cl)cc1F)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12ClFN4O5/c17-10-4-5-14(13(18)6-10)21-16(24)9-27-19-8-15(23)20-11-2-1-3-12(7-11)22(25)26/h1-8H,9H2,(H,20,23)(H,21,24)/b19-8-
InChIKeyBMLQDRGFBJOMME-UWVJOHFNSA-N
MW394.75 g/mol
LogP2.97
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide

N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide (PubChem CID 7666459) has the molecular formula C16H12ClFN4O5 and a molecular weight of 394.75 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
PubChem CID7666459
Molecular FormulaC16H12ClFN4O5
Molecular Weight394.75 g/mol
Exact Mass394.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESO=C(/C=N\OCC(=O)Nc1ccc(Cl)cc1F)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12ClFN4O5/c17-10-4-5-14(13(18)6-10)21-16(24)9-27-19-8-15(23)20-11-2-1-3-12(7-11)22(25)26/h1-8H,9H2,(H,20,23)(H,21,24)/b19-8-
InChIKeyBMLQDRGFBJOMME-UWVJOHFNSA-N
XLogP2.97
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.75
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide 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

N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 9081448
2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
CID 7666686
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2567979
(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666200
N-(5-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 17419612
N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665896
N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666500
[2-(3-nitroanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 2466637
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7700952
(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666370
(Z)-3-[5-chloro-2-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide
CID 126382985
N-(4-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
CID 7919493

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide (CID 7666459) is N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is O=C(/C=N\OCC(=O)Nc1ccc(Cl)cc1F)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The InChIKey is BMLQDRGFBJOMME-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H12ClFN4O5/c17-10-4-5-14(13(18)6-10)21-16(24)9-27-19-8-15(23)20-11-2-1-3-12(7-11)22(25)26/h1-8H,9H2,(H,20,23)(H,21,24)/b19-8-.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide has a molecular weight of 394.75 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is sourced from PubChem (CID 7666459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).