2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide

C15H19Cl2N3O — CID 6894540

IUPAC2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCCCCC1)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2N3O/c16-13-7-5-6-12(15(13)17)10-18-19-14(21)11-20-8-3-1-2-4-9-20/h5-7,10H,1-4,8-9,11H2,(H,19,21)/b18-10+
InChIKeyNNYFHVWTVOCZHD-VCHYOVAHSA-N
MW328.24 g/mol
LogP3.32
Rot. Bonds4

About 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide

2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide (PubChem CID 6894540) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
PubChem CID6894540
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCCCCC1)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2N3O/c16-13-7-5-6-12(15(13)17)10-18-19-14(21)11-20-8-3-1-2-4-9-20/h5-7,10H,1-4,8-9,11H2,(H,19,21)/b18-10+
InChIKeyNNYFHVWTVOCZHD-VCHYOVAHSA-N
XLogP3.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.32
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

2-(1-azepanyl)-N'-(2-chloro-6-fluorobenzylidene)-2-oxoacetohydrazide
CID 6871267
2-(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxoacetamide
CID 9593484
2-(1-azepanyl)-N'-(3-chlorobenzylidene)acetohydrazide
CID 5331587
Piperidin-1-yl-acetic acid (4-chloro-benzylidene)-hydrazide
CID 9556842
Piperidin-1-yl-acetic acid (3-chloro-benzylidene)-hydrazide
CID 9592871
N'-(2,4-dichlorobenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 9592878
1-Piperidineacetic acid, alpha-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 5333302
2-(1-azepanyl)-N'-(3,4-dichlorobenzylidene)acetohydrazide
CID 5338350
1-Pyrrolidineacetic acid, ((4-chlorophenyl)methylene)hydrazide, monohydrochloride, hydrate
CID 9578628
N-(2-(2-(2,3-Dichlorobenzylidene)hydrazino)-2-oxoethyl)tetradecanamide
CID 9682697
2-(azepan-1-yl)-N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxoacetamide
CID 1714272
N'-(3-chlorobenzylidene)-2-(4-ethyl-1-piperazinyl)acetohydrazide
CID 5331774

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide (CID 6894540) is 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide is O=C(CN1CCCCCC1)N/N=C/c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is NNYFHVWTVOCZHD-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c16-13-7-5-6-12(15(13)17)10-18-19-14(21)11-20-8-3-1-2-4-9-20/h5-7,10H,1-4,8-9,11H2,(H,19,21)/b18-10+.
What are the key properties of 2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
2-(azepan-1-yl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 328.24 g/mol, XLogP of 3.32, 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-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6894540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).