N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

C15H10ClFN4O4 — CID 6049220

IUPACN'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESO=C(N/N=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN4O4/c16-10-1-6-13(21(24)25)9(7-10)8-18-20-15(23)14(22)19-12-4-2-11(17)3-5-12/h1-8H,(H,19,22)(H,20,23)/b18-8-
InChIKeyXDFRANOBVHCGBE-LSCVHKIXSA-N
MW364.72 g/mol
LogP2.48
Rot. Bonds4

About N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (PubChem CID 6049220) has the molecular formula C15H10ClFN4O4 and a molecular weight of 364.72 g/mol. Its IUPAC name is N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
PubChem CID6049220
Molecular FormulaC15H10ClFN4O4
Molecular Weight364.72 g/mol
Exact Mass364.04
IUPAC NameN'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESO=C(N/N=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN4O4/c16-10-1-6-13(21(24)25)9(7-10)8-18-20-15(23)14(22)19-12-4-2-11(17)3-5-12/h1-8H,(H,19,22)(H,20,23)/b18-8-
InChIKeyXDFRANOBVHCGBE-LSCVHKIXSA-N
XLogP2.48
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.72
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833575
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide
CID 6249380
N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136863890
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
CID 19660912
4-[(4-chlorobenzoyl)amino]-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 171135932
N'-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 94836858
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3299704
N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (CID 6049220) is N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is O=C(N/N=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The InChIKey is XDFRANOBVHCGBE-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H10ClFN4O4/c16-10-1-6-13(21(24)25)9(7-10)8-18-20-15(23)14(22)19-12-4-2-11(17)3-5-12/h1-8H,(H,19,22)(H,20,23)/b18-8-.
What are the key properties of N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide has a molecular weight of 364.72 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 6049220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).