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

C13H17Cl2N3O — CID 55122695

IUPAC2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CN1CCCNCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-2-3-12(11(15)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)
InChIKeyGJSYJTNMHLSRDZ-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.23
Rot. Bonds3

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

2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide (PubChem CID 55122695) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
PubChem CID55122695
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CN1CCCNCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-2-3-12(11(15)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)
InChIKeyGJSYJTNMHLSRDZ-UHFFFAOYSA-N
XLogP2.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107808016
N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
N-(3-chloro-5-fluorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107365899
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
2-(1,4-diazepan-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 62839860
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide
CID 103585983
N-(4-amino-2-chlorophenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361365

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide (CID 55122695) is 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide is O=C(CN1CCCNCC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is GJSYJTNMHLSRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-10-2-3-12(11(15)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).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 302.20 g/mol, XLogP of 2.23, 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-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 55122695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).