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

C16H14ClN3O3 — CID 6896356

IUPACN'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN3O3/c1-23-14-8-6-13(7-9-14)19-15(21)16(22)20-18-10-11-2-4-12(17)5-3-11/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyAWMDHBUPSGTVJS-VCHYOVAHSA-N
MW331.76 g/mol
LogP2.44
Rot. Bonds4

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

N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide (PubChem CID 6896356) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
PubChem CID6896356
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN3O3/c1-23-14-8-6-13(7-9-14)19-15(21)16(22)20-18-10-11-2-4-12(17)5-3-11/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyAWMDHBUPSGTVJS-VCHYOVAHSA-N
XLogP2.44
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.44
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'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide (CID 6896356) is N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The InChIKey is AWMDHBUPSGTVJS-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-23-14-8-6-13(7-9-14)19-15(21)16(22)20-18-10-11-2-4-12(17)5-3-11/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide has a molecular weight of 331.76 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 6896356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).