2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide

C12H15ClN4O2 — CID 104601172

IUPAC2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide
SMILESNN1CCCN(CC(=O)Nc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H15ClN4O2/c13-9-2-4-10(5-3-9)15-11(18)8-16-6-1-7-17(14)12(16)19/h2-5H,1,6-8,14H2,(H,15,18)
InChIKeyNYBYUXZNMSVYME-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.28
Rot. Bonds3

About 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide

2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 104601172) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide
PubChem CID104601172
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide
SMILESNN1CCCN(CC(=O)Nc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H15ClN4O2/c13-9-2-4-10(5-3-9)15-11(18)8-16-6-1-7-17(14)12(16)19/h2-5H,1,6-8,14H2,(H,15,18)
InChIKeyNYBYUXZNMSVYME-UHFFFAOYSA-N
XLogP1.28
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167
N-(4-chlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98174099
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(4-chlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]acetamide
CID 98304309
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 110689860
N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2345538
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
N-(3-amino-4-fluorophenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62492016
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide (CID 104601172) is 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide is NN1CCCN(CC(=O)Nc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is NYBYUXZNMSVYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-9-2-4-10(5-3-9)15-11(18)8-16-6-1-7-17(14)12(16)19/h2-5H,1,6-8,14H2,(H,15,18).
What are the key properties of 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide?
2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 282.73 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 104601172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).