N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide

C16H13ClN4O3 — CID 19660036

IUPACN-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN4O3/c17-13-4-2-1-3-11(13)9-19-21-16(24)15(23)20-12-7-5-10(6-8-12)14(18)22/h1-9H,(H2,18,22)(H,20,23)(H,21,24)/b19-9+
InChIKeyGUQRZZPWZQYAOT-DJKKODMXSA-N
MW344.76 g/mol
LogP1.53
Rot. Bonds4

About N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide

N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide (PubChem CID 19660036) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
PubChem CID19660036
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC NameN-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN4O3/c17-13-4-2-1-3-11(13)9-19-21-16(24)15(23)20-12-7-5-10(6-8-12)14(18)22/h1-9H,(H2,18,22)(H,20,23)(H,21,24)/b19-9+
InChIKeyGUQRZZPWZQYAOT-DJKKODMXSA-N
XLogP1.53
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 51.53
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)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 19661193
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
CID 3527403
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
CID 51060164
N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 8898963
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305
N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4123136
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491
[2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6290283
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide (CID 19660036) is N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide is NC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide?
The InChIKey is GUQRZZPWZQYAOT-DJKKODMXSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-13-4-2-1-3-11(13)9-19-21-16(24)15(23)20-12-7-5-10(6-8-12)14(18)22/h1-9H,(H2,18,22)(H,20,23)(H,21,24)/b19-9+.
What are the key properties of N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide?
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide has a molecular weight of 344.76 g/mol, XLogP of 1.53, 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-chlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 19660036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).