N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide

C15H22ClN3O — CID 43348758

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
SMILESO=C(CN1CCCNCC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3O/c16-14-4-1-3-13(11-14)5-7-18-15(20)12-19-9-2-6-17-8-10-19/h1,3-4,11,17H,2,5-10,12H2,(H,18,20)
InChIKeyILUIUTOEYMCUOL-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.29
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 43348758) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
PubChem CID43348758
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
SMILESO=C(CN1CCCNCC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3O/c16-14-4-1-3-13(11-14)5-7-18-15(20)12-19-9-2-6-17-8-10-19/h1,3-4,11,17H,2,5-10,12H2,(H,18,20)
InChIKeyILUIUTOEYMCUOL-UHFFFAOYSA-N
XLogP1.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 55123139
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 62838248
N-[2-(3-chlorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734415
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 80682467
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide (CID 43348758) is N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide is O=C(CN1CCCNCC1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is ILUIUTOEYMCUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-14-4-1-3-13(11-14)5-7-18-15(20)12-19-9-2-6-17-8-10-19/h1,3-4,11,17H,2,5-10,12H2,(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 43348758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).