N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide

C16H12Cl2N4O3 — CID 3527403

IUPACN-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NN=Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H12Cl2N4O3/c17-12-2-1-3-13(18)11(12)8-20-22-16(25)15(24)21-10-6-4-9(5-7-10)14(19)23/h1-8H,(H2,19,23)(H,21,24)(H,22,25)
InChIKeyODAHEXPTRHCQQL-UHFFFAOYSA-N
MW379.20 g/mol
LogP2.18
Rot. Bonds4

About N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide

N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide (PubChem CID 3527403) has the molecular formula C16H12Cl2N4O3 and a molecular weight of 379.20 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
PubChem CID3527403
Molecular FormulaC16H12Cl2N4O3
Molecular Weight379.20 g/mol
Exact Mass378.03
IUPAC NameN-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NN=Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H12Cl2N4O3/c17-12-2-1-3-13(18)11(12)8-20-22-16(25)15(24)21-10-6-4-9(5-7-10)14(19)23/h1-8H,(H2,19,23)(H,21,24)(H,22,25)
InChIKeyODAHEXPTRHCQQL-UHFFFAOYSA-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'}

Analyze N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
CID 51060164
N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 19661193
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7738333
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4253196
methyl 4-[[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240896
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
N-(2-bromophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
CID 94847083
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide (CID 3527403) is N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide is NC(=O)c1ccc(NC(=O)C(=O)NN=Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is ODAHEXPTRHCQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3/c17-12-2-1-3-13(18)11(12)8-20-22-16(25)15(24)21-10-6-4-9(5-7-10)14(19)23/h1-8H,(H2,19,23)(H,21,24)(H,22,25).
What are the key properties of N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide?
N-(4-carbamoylphenyl)-N'-[(2,6-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'-[(2,6-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 3527403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).