N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide

C19H20Cl2N4O2 — CID 19658700

IUPACN-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N4O2/c1-3-25(4-2)15-8-5-13(6-9-15)12-22-24-19(27)18(26)23-14-7-10-16(20)17(21)11-14/h5-12H,3-4H2,1-2H3,(H,23,26)(H,24,27)/b22-12+
InChIKeyVRGACABNRWNHEE-WSDLNYQXSA-N
MW407.30 g/mol
LogP3.93
Rot. Bonds6

About N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide

N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide (PubChem CID 19658700) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
PubChem CID19658700
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H20Cl2N4O2/c1-3-25(4-2)15-8-5-13(6-9-15)12-22-24-19(27)18(26)23-14-7-10-16(20)17(21)11-14/h5-12H,3-4H2,1-2H3,(H,23,26)(H,24,27)/b22-12+
InChIKeyVRGACABNRWNHEE-WSDLNYQXSA-N
XLogP3.93
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.93
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-methylphenyl)-N'-[[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 3477063
N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6247065
2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6034971
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 19660151
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N'-[(E)-(4-acetamidophenyl)methylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 25251109
N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19659894
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 3117787
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 94832791
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide (CID 19658700) is N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide is CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide?
The InChIKey is VRGACABNRWNHEE-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-3-25(4-2)15-8-5-13(6-9-15)12-22-24-19(27)18(26)23-14-7-10-16(20)17(21)11-14/h5-12H,3-4H2,1-2H3,(H,23,26)(H,24,27)/b22-12+.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide has a molecular weight of 407.30 g/mol, XLogP of 3.93, 6 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'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19658700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).