N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide

C13H9ClN4O5 — CID 6179708

IUPACN-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
SMILESO=C(N/N=C\c1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN4O5/c14-10-4-3-8(6-11(10)18(21)22)16-12(19)13(20)17-15-7-9-2-1-5-23-9/h1-7H,(H,16,19)(H,17,20)/b15-7-
InChIKeyRDVGQQSJAPGAMX-CHHVJCJISA-N
MW336.69 g/mol
LogP1.93
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide

N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide (PubChem CID 6179708) has the molecular formula C13H9ClN4O5 and a molecular weight of 336.69 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
PubChem CID6179708
Molecular FormulaC13H9ClN4O5
Molecular Weight336.69 g/mol
Exact Mass336.03
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
SMILESO=C(N/N=C\c1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN4O5/c14-10-4-3-8(6-11(10)18(21)22)16-12(19)13(20)17-15-7-9-2-1-5-23-9/h1-7H,(H,16,19)(H,17,20)/b15-7-
InChIKeyRDVGQQSJAPGAMX-CHHVJCJISA-N
XLogP1.93
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136863890
N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide
CID 6890226
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 6878496
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide
CID 6249380
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide (CID 6179708) is N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide is O=C(N/N=C\c1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide?
The InChIKey is RDVGQQSJAPGAMX-CHHVJCJISA-N. The full InChI is InChI=1S/C13H9ClN4O5/c14-10-4-3-8(6-11(10)18(21)22)16-12(19)13(20)17-15-7-9-2-1-5-23-9/h1-7H,(H,16,19)(H,17,20)/b15-7-.
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide?
N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide has a molecular weight of 336.69 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 6179708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).