N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide

C16H12Cl2N4O3 — CID 19661193

IUPACN-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H12Cl2N4O3/c17-12-3-1-2-10(13(12)18)8-20-22-16(25)15(24)21-11-6-4-9(5-7-11)14(19)23/h1-8H,(H2,19,23)(H,21,24)(H,22,25)/b20-8+
InChIKeyTYSXBHAGOJBTKE-DNTJNYDQSA-N
MW379.20 g/mol
LogP2.18
Rot. Bonds4

About N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide

N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide (PubChem CID 19661193) has the molecular formula C16H12Cl2N4O3 and a molecular weight of 379.20 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
PubChem CID19661193
Molecular FormulaC16H12Cl2N4O3
Molecular Weight379.20 g/mol
Exact Mass378.03
IUPAC NameN-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H12Cl2N4O3/c17-12-3-1-2-10(13(12)18)8-20-22-16(25)15(24)21-11-6-4-9(5-7-11)14(19)23/h1-8H,(H2,19,23)(H,21,24)(H,22,25)/b20-8+
InChIKeyTYSXBHAGOJBTKE-DNTJNYDQSA-N
XLogP2.18
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 52.18
H-Bond Donors ≤ 53
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-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
CID 3527403
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6243667
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586
N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
CID 51060164
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6264911
N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4123136
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide (CID 19661193) is N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide is NC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is TYSXBHAGOJBTKE-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3/c17-12-3-1-2-10(13(12)18)8-20-22-16(25)15(24)21-11-6-4-9(5-7-11)14(19)23/h1-8H,(H2,19,23)(H,21,24)(H,22,25)/b20-8+.
What are the key properties of N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide?
N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide has a molecular weight of 379.20 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 19661193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).