2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide

C16H22ClN3O2 — CID 51654514

IUPAC2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide
SMILESN/C(=N\OCC(=O)NC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O2/c17-13-9-7-12(8-10-13)16(18)20-22-11-15(21)19-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H2,18,20)(H,19,21)
InChIKeyXNRBXSWQENDRMC-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.82
Rot. Bonds5

About 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide

2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide (PubChem CID 51654514) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide
PubChem CID51654514
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide
SMILESN/C(=N\OCC(=O)NC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O2/c17-13-9-7-12(8-10-13)16(18)20-22-11-15(21)19-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H2,18,20)(H,19,21)
InChIKeyXNRBXSWQENDRMC-UHFFFAOYSA-N
XLogP2.82
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide
CID 126805518
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide
CID 87024134
[[amino-(4-chlorophenyl)methylidene]amino] 2-cyclohexylacetate
CID 2910703
[2-(cycloheptylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 3376009
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867507
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 42942869
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide
CID 139938077
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide?
The IUPAC name of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide (CID 51654514) is 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide?
The canonical SMILES for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide is N/C(=N\OCC(=O)NC1CCCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide?
The InChIKey is XNRBXSWQENDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c17-13-9-7-12(8-10-13)16(18)20-22-11-15(21)19-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide?
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide has a molecular weight of 323.82 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide is sourced from PubChem (CID 51654514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).