2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride

C13H18Cl3N3O — CID 119906433

IUPAC2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCNCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O.ClH/c14-10-2-3-11(15)12(8-10)17-13(19)9-18-6-1-4-16-5-7-18;/h2-3,8,16H,1,4-7,9H2,(H,17,19);1H
InChIKeyJISZCADJEZSMEC-UHFFFAOYSA-N
MW338.67 g/mol
LogP2.65
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride (PubChem CID 119906433) has the molecular formula C13H18Cl3N3O and a molecular weight of 338.67 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
PubChem CID119906433
Molecular FormulaC13H18Cl3N3O
Molecular Weight338.67 g/mol
Exact Mass337.05
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCNCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O.ClH/c14-10-2-3-11(15)12(8-10)17-13(19)9-18-6-1-4-16-5-7-18;/h2-3,8,16H,1,4-7,9H2,(H,17,19);1H
InChIKeyJISZCADJEZSMEC-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.67
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107808016
N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60710101
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(3-chloro-5-fluorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107365899
N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 60972401
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride (CID 119906433) is 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride is Cl.O=C(CN1CCCNCC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride?
The InChIKey is JISZCADJEZSMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O.ClH/c14-10-2-3-11(15)12(8-10)17-13(19)9-18-6-1-4-16-5-7-18;/h2-3,8,16H,1,4-7,9H2,(H,17,19);1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride has a molecular weight of 338.67 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119906433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).