N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide

C14H16ClN3O3 — CID 8931670

IUPACN'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-2-21-12-6-3-9(7-11(12)15)8-16-18-14(20)13(19)17-10-4-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,17,19)(H,18,20)/b16-8-
InChIKeyXIZDBPZYXXMXQF-PXNMLYILSA-N
MW309.75 g/mol
LogP1.47
Rot. Bonds5

About N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide (PubChem CID 8931670) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
PubChem CID8931670
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-2-21-12-6-3-9(7-11(12)15)8-16-18-14(20)13(19)17-10-4-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,17,19)(H,18,20)/b16-8-
InChIKeyXIZDBPZYXXMXQF-PXNMLYILSA-N
XLogP1.47
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.47
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'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide (CID 8931670) is N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide is CCOc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1Cl.
What is the InChIKey of N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The InChIKey is XIZDBPZYXXMXQF-PXNMLYILSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-2-21-12-6-3-9(7-11(12)15)8-16-18-14(20)13(19)17-10-4-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,17,19)(H,18,20)/b16-8-.
What are the key properties of N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide has a molecular weight of 309.75 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 8931670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).