N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide

C12H12ClN3O2 — CID 9352220

IUPACN'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1)C(=O)NC1CC1
InChIInChI=1S/C12H12ClN3O2/c13-9-3-1-2-8(6-9)7-14-16-12(18)11(17)15-10-4-5-10/h1-3,6-7,10H,4-5H2,(H,15,17)(H,16,18)/b14-7-
InChIKeyJMBULMYJZORWON-AUWJEWJLSA-N
MW265.70 g/mol
LogP1.07
Rot. Bonds3

About N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide (PubChem CID 9352220) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
PubChem CID9352220
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1)C(=O)NC1CC1
InChIInChI=1S/C12H12ClN3O2/c13-9-3-1-2-8(6-9)7-14-16-12(18)11(17)15-10-4-5-10/h1-3,6-7,10H,4-5H2,(H,15,17)(H,16,18)/b14-7-
InChIKeyJMBULMYJZORWON-AUWJEWJLSA-N
XLogP1.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 8930334
N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
CID 9352215
N'-[(E)-(3-chlorophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211605
N-cyclopropyl-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 6150186
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246
(1R,6R)-N-[(E)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98048536
N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5335973
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide (CID 9352220) is N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide is O=C(N/N=C\c1cccc(Cl)c1)C(=O)NC1CC1.
What is the InChIKey of N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide?
The InChIKey is JMBULMYJZORWON-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-9-3-1-2-8(6-9)7-14-16-12(18)11(17)15-10-4-5-10/h1-3,6-7,10H,4-5H2,(H,15,17)(H,16,18)/b14-7-.
What are the key properties of N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide has a molecular weight of 265.70 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 9352220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).