3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one

C17H15Cl2FN2O — CID 69457925

IUPAC3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one
SMILESO=C1CCN(Cc2ccccc2F)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2FN2O/c18-13-5-3-6-14(19)17(13)22-11-21(9-8-16(22)23)10-12-4-1-2-7-15(12)20/h1-7H,8-11H2
InChIKeyYUMBYYGUJHOFGX-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.33
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one

3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one (PubChem CID 69457925) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one
PubChem CID69457925
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one
SMILESO=C1CCN(Cc2ccccc2F)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2FN2O/c18-13-5-3-6-14(19)17(13)22-11-21(9-8-16(22)23)10-12-4-1-2-7-15(12)20/h1-7H,8-11H2
InChIKeyYUMBYYGUJHOFGX-UHFFFAOYSA-N
XLogP4.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2,6-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-1,3-diazinan-4-one
CID 58794204
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
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1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
2-chloro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 115903994
5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 46256877
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-4-one
CID 102855971
5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 79342057
N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 25487251

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one (CID 69457925) is 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one is O=C1CCN(Cc2ccccc2F)CN1c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one?
The InChIKey is YUMBYYGUJHOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O/c18-13-5-3-6-14(19)17(13)22-11-21(9-8-16(22)23)10-12-4-1-2-7-15(12)20/h1-7H,8-11H2.
What are the key properties of 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one?
3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one has a molecular weight of 353.22 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one is sourced from PubChem (CID 69457925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).