2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide

C15H20ClN3O — CID 786188

IUPAC2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCCCCC1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c16-14-7-5-13(6-8-14)11-17-18-15(20)12-19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10,12H2,(H,18,20)
InChIKeyINZROLPFGKDYTH-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.67
Rot. Bonds4

About 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide

2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide (PubChem CID 786188) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
PubChem CID786188
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCCCCC1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c16-14-7-5-13(6-8-14)11-17-18-15(20)12-19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10,12H2,(H,18,20)
InChIKeyINZROLPFGKDYTH-UHFFFAOYSA-N
XLogP2.67
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
CID 5407176
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355
N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 131878401
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
CID 1383029
N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide
CID 2730086
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 6885049
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide (CID 786188) is 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide is O=C(CN1CCCCCC1)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide?
The InChIKey is INZROLPFGKDYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-14-7-5-13(6-8-14)11-17-18-15(20)12-19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10,12H2,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide?
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide has a molecular weight of 293.80 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 786188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).