N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide

C16H12Cl2N4O4 — CID 3650302

IUPACN-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12Cl2N4O4/c1-9(10-3-2-4-14(5-10)22(25)26)20-21-16(24)15(23)19-13-7-11(17)6-12(18)8-13/h2-8H,1H3,(H,19,23)(H,21,24)
InChIKeyQEGAICQWDOZFNT-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.38
Rot. Bonds4

About N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide

N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide (PubChem CID 3650302) has the molecular formula C16H12Cl2N4O4 and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide
PubChem CID3650302
Molecular FormulaC16H12Cl2N4O4
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC NameN-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12Cl2N4O4/c1-9(10-3-2-4-14(5-10)22(25)26)20-21-16(24)15(23)19-13-7-11(17)6-12(18)8-13/h2-8H,1H3,(H,19,23)(H,21,24)
InChIKeyQEGAICQWDOZFNT-UHFFFAOYSA-N
XLogP3.38
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.38
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,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351495
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
2,4-dichloro-N-[3-[C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]phenyl]benzamide
CID 3591047
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961
N'-[1-(3-nitrophenyl)ethylideneamino]-N-phenylbutanediamide
CID 3495200
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6088615
N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402036
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide (CID 3650302) is N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide is CC(=NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide?
The InChIKey is QEGAICQWDOZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O4/c1-9(10-3-2-4-14(5-10)22(25)26)20-21-16(24)15(23)19-13-7-11(17)6-12(18)8-13/h2-8H,1H3,(H,19,23)(H,21,24).
What are the key properties of N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide?
N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide has a molecular weight of 395.20 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide is sourced from PubChem (CID 3650302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).