1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one

C11H13Cl2N3O — CID 107309589

IUPAC1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one
SMILESNN1CCCN(Cc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C11H13Cl2N3O/c12-9-4-1-3-8(10(9)13)7-15-5-2-6-16(14)11(15)17/h1,3-4H,2,5-7,14H2
InChIKeyIEAKPIILOQQACI-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.49
Rot. Bonds2

About 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one

1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one (PubChem CID 107309589) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one
PubChem CID107309589
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one
SMILESNN1CCCN(Cc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C11H13Cl2N3O/c12-9-4-1-3-8(10(9)13)7-15-5-2-6-16(14)11(15)17/h1,3-4H,2,5-7,14H2
InChIKeyIEAKPIILOQQACI-UHFFFAOYSA-N
XLogP2.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[(2-chloro-3-fluorophenyl)methyl]-1,3-diazinan-2-one
CID 113431480
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-amino-3-[(4-methylphenyl)methyl]-1,3-diazinan-2-one
CID 104601169
4-[(3-amino-2-oxo-1,3-diazinan-1-yl)methyl]benzonitrile
CID 113431445
1-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712216
1-[(2,3-dichlorophenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 107310600
1-[(2,3-dichlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663225
1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine
CID 66634297
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one
CID 107310149

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one (CID 107309589) is 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one is NN1CCCN(Cc2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one?
The InChIKey is IEAKPIILOQQACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c12-9-4-1-3-8(10(9)13)7-15-5-2-6-16(14)11(15)17/h1,3-4H,2,5-7,14H2.
What are the key properties of 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one?
1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one has a molecular weight of 274.15 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2,3-dichlorophenyl)methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 107309589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).