1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one

C11H13ClN2O2 — CID 107623725

IUPAC1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one
SMILESCOc1cc(N2CCCNC2=O)ccc1Cl
InChIInChI=1S/C11H13ClN2O2/c1-16-10-7-8(3-4-9(10)12)14-6-2-5-13-11(14)15/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyKRBMDRHEOMSLSN-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.27
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one

1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one (PubChem CID 107623725) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one
PubChem CID107623725
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one
SMILESCOc1cc(N2CCCNC2=O)ccc1Cl
InChIInChI=1S/C11H13ClN2O2/c1-16-10-7-8(3-4-9(10)12)14-6-2-5-13-11(14)15/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyKRBMDRHEOMSLSN-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
CID 115370857
1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
CID 113296301
1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one
CID 115371068
1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
CID 155170069
1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 107622002
1-(3,4-difluorophenyl)-1,3-diazinan-2-one
CID 115370833
1-(3,4-dimethoxyphenyl)-1,4-diazepan-2-one
CID 82297454
1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
CID 113399851
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
CID 107623351
1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 107623388
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
CID 69400856

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one (CID 107623725) is 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one is COc1cc(N2CCCNC2=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one?
The InChIKey is KRBMDRHEOMSLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-16-10-7-8(3-4-9(10)12)14-6-2-5-13-11(14)15/h3-4,7H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one?
1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one has a molecular weight of 240.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 107623725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).