4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide

C12H12FN3O2 — CID 3567102

IUPAC4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
SMILESC=C1NC(=O)NC(c2ccccc2F)C1C(N)=O
InChIInChI=1S/C12H12FN3O2/c1-6-9(11(14)17)10(16-12(18)15-6)7-4-2-3-5-8(7)13/h2-5,9-10H,1H2,(H2,14,17)(H2,15,16,18)
InChIKeyXLZPEKVIWCUUOZ-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.79
Rot. Bonds2

About 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide

4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide (PubChem CID 3567102) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
PubChem CID3567102
Molecular FormulaC12H12FN3O2
Molecular Weight249.24 g/mol
Exact Mass249.09
IUPAC Name4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
SMILESC=C1NC(=O)NC(c2ccccc2F)C1C(N)=O
InChIInChI=1S/C12H12FN3O2/c1-6-9(11(14)17)10(16-12(18)15-6)7-4-2-3-5-8(7)13/h2-5,9-10H,1H2,(H2,14,17)(H2,15,16,18)
InChIKeyXLZPEKVIWCUUOZ-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

propyl (4S,5S)-4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2170708
(5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2375857
5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid
CID 83849942
(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2392565
(5S,6S)-N-(3,4-difluorophenyl)-4-methylidene-6-(2-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2294678
4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2912658
2-methoxyethyl (4R,5R)-4-(2,4-difluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2429272
(5S,6R)-5-acetyl-4-methylidene-6-(2-propoxyphenyl)-1,3-diazinan-2-one
CID 2169550
(4R,5S)-N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 2138732
(4S,5R)-5-benzoyl-4-(2,5-dimethylphenyl)-6-methylidene-1,3-diazinan-2-one
CID 2392471
(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2377275
2-ethoxyethyl (4R,5S)-4-(2-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2059592

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide (CID 3567102) is 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide is C=C1NC(=O)NC(c2ccccc2F)C1C(N)=O.
What is the InChIKey of 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide?
The InChIKey is XLZPEKVIWCUUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-6-9(11(14)17)10(16-12(18)15-6)7-4-2-3-5-8(7)13/h2-5,9-10H,1H2,(H2,14,17)(H2,15,16,18).
What are the key properties of 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide?
4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 3567102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).