N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide

C17H16Cl2N4O2 — CID 5331272

IUPACN-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N4O2/c1-23(2)13-6-3-11(4-7-13)10-20-22-17(25)16(24)21-15-9-12(18)5-8-14(15)19/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10+
InChIKeyMQBCDHBDMHHPRE-KEBDBYFISA-N
MW379.25 g/mol
LogP3.15
Rot. Bonds4

About N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide

N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide (PubChem CID 5331272) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
PubChem CID5331272
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N4O2/c1-23(2)13-6-3-11(4-7-13)10-20-22-17(25)16(24)21-15-9-12(18)5-8-14(15)19/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10+
InChIKeyMQBCDHBDMHHPRE-KEBDBYFISA-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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide (CID 5331272) is N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide is CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The InChIKey is MQBCDHBDMHHPRE-KEBDBYFISA-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)21-15-9-12(18)5-8-14(15)19/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10+.
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
N-(2,5-dichlorophenyl)-N'-[(E)-[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-(2,5-dichlorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 5331272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).