3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione

C19H15FN2O2 — CID 4555441

IUPAC3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione
SMILESCCN1C(=O)NC2=C(C(=O)c3ccccc32)C1c1ccccc1F
InChIInChI=1S/C19H15FN2O2/c1-2-22-17(13-9-5-6-10-14(13)20)15-16(21-19(22)24)11-7-3-4-8-12(11)18(15)23/h3-10,17H,2H2,1H3,(H,21,24)
InChIKeyNDZFXJRVGPALFC-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.52
Rot. Bonds2

About 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione

3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione (PubChem CID 4555441) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione
PubChem CID4555441
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione
SMILESCCN1C(=O)NC2=C(C(=O)c3ccccc32)C1c1ccccc1F
InChIInChI=1S/C19H15FN2O2/c1-2-22-17(13-9-5-6-10-14(13)20)15-16(21-19(22)24)11-7-3-4-8-12(11)18(15)23/h3-10,17H,2H2,1H3,(H,21,24)
InChIKeyNDZFXJRVGPALFC-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione
CID 3237127
5,6-dioxo-11H-inden o[1,2-c]isoquinoline
CID 11256032
4-(3-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
CID 44540150
4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5H-indeno[1,2-d]pyrimidin-5-one
CID 2817305
(4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
CID 736751
4-(4-heptylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5H-indeno[1,2-d]pyrimidin-5-one
CID 3767821
(6R)-5-acetyl-3-benzyl-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
CID 9548418
(6S)-5-acetyl-3-benzyl-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
CID 9548421
(6S)-5-acetyl-3-benzyl-4-methyl-6-(2-phenylethyl)-1,6-dihydropyrimidin-2-one
CID 9548423
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-4H-indeno[1,2-d]pyrimidine-2,5-dione
CID 168274077
3-[2-[bis(2-hydroxyethyl)amino]ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4H-indeno[1,2-d]pyrimidine-2,5-dione
CID 168286008
1-methyl-3-(2-piperazin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-indeno[1,2-d]pyrimidine-2,5-dione
CID 168290978

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione?
The IUPAC name of 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione (CID 4555441) is 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione.
What is the SMILES notation for 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione?
The canonical SMILES for 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione is CCN1C(=O)NC2=C(C(=O)c3ccccc32)C1c1ccccc1F.
What is the InChIKey of 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione?
The InChIKey is NDZFXJRVGPALFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-2-22-17(13-9-5-6-10-14(13)20)15-16(21-19(22)24)11-7-3-4-8-12(11)18(15)23/h3-10,17H,2H2,1H3,(H,21,24).
What are the key properties of 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione?
3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione has a molecular weight of 322.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-fluorophenyl)-1,4-dihydroindeno[1,2-d]pyrimidine-2,5-dione is sourced from PubChem (CID 4555441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).