5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one

C18H15FN2O2 — CID 4093145

IUPAC5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one
SMILESC=C1NC(=O)NC(c2cccc(F)c2)C1C(=O)c1ccccc1
InChIInChI=1S/C18H15FN2O2/c1-11-15(17(22)12-6-3-2-4-7-12)16(21-18(23)20-11)13-8-5-9-14(19)10-13/h2-10,15-16H,1H2,(H2,20,21,23)
InChIKeyKJUWMRBOLWFASE-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.19
Rot. Bonds3

About 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one

5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one (PubChem CID 4093145) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one
PubChem CID4093145
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one
SMILESC=C1NC(=O)NC(c2cccc(F)c2)C1C(=O)c1ccccc1
InChIInChI=1S/C18H15FN2O2/c1-11-15(17(22)12-6-3-2-4-7-12)16(21-18(23)20-11)13-8-5-9-14(19)10-13/h2-10,15-16H,1H2,(H2,20,21,23)
InChIKeyKJUWMRBOLWFASE-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one
CID 2369403
(5R,6S)-5-benzoyl-4-methylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 2427856
(4R,5S)-4-(3-bromophenyl)-5-(4-chlorobenzoyl)-6-methylidene-1,3-diazinan-2-one
CID 2368097
(4S,5R)-5-benzoyl-4-(2,5-dimethylphenyl)-6-methylidene-1,3-diazinan-2-one
CID 2392471
(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2392565
(4S,5R)-5-benzoyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one
CID 2200788
[(5R,6S)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone
CID 2398813
(4R,5S)-N-benzyl-4-(3-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide
CID 2226267
(4S,5R)-4-(4-fluorophenyl)-6-methylidene-N-(2-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2263309
(5S,6S)-4-methylidene-2-oxo-N,6-bis[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2389742
(5R,6S)-5-(4-chlorobenzoyl)-4-methylidene-6-(2,4,6-trimethylphenyl)-1,3-diazinan-2-one
CID 2392345
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one?
The IUPAC name of 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one (CID 4093145) is 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one.
What is the SMILES notation for 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one?
The canonical SMILES for 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one is C=C1NC(=O)NC(c2cccc(F)c2)C1C(=O)c1ccccc1.
What is the InChIKey of 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one?
The InChIKey is KJUWMRBOLWFASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-15(17(22)12-6-3-2-4-7-12)16(21-18(23)20-11)13-8-5-9-14(19)10-13/h2-10,15-16H,1H2,(H2,20,21,23).
What are the key properties of 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one?
5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one has a molecular weight of 310.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one is sourced from PubChem (CID 4093145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).