N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide

C17H16Cl2N4O2 — CID 6247065

IUPACN-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N4O2/c1-23(2)13-6-3-11(4-7-13)10-20-22-17(25)16(24)21-12-5-8-14(18)15(19)9-12/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10-
InChIKeyZXYBVXVEPWSRMG-JMIUGGIZSA-N
MW379.25 g/mol
LogP3.15
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide

N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide (PubChem CID 6247065) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
PubChem CID6247065
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N4O2/c1-23(2)13-6-3-11(4-7-13)10-20-22-17(25)16(24)21-12-5-8-14(18)15(19)9-12/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10-
InChIKeyZXYBVXVEPWSRMG-JMIUGGIZSA-N
XLogP3.15
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 19660151
N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19658700
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 3117787
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
CID 4218592
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
N-(3-chloro-4-methylphenyl)-N'-[[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 3477063
N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 21229401
N'-[(E)-(4-acetamidophenyl)methylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 25251109
[4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060935
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 3856543

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide (CID 6247065) is N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide is CN(C)c1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The InChIKey is ZXYBVXVEPWSRMG-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-23(2)13-6-3-11(4-7-13)10-20-22-17(25)16(24)21-12-5-8-14(18)15(19)9-12/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10-.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide has a molecular weight of 379.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 6247065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).