6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

C18H14F3N3O4 — CID 155955636

IUPAC6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c(C(F)(F)F)oc2ccccc12)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C18H14F3N3O4/c19-18(20,21)15-14(10-3-1-2-4-12(10)28-15)16(26)24-6-5-9(8-24)11-7-13(25)23-17(27)22-11/h1-4,7,9H,5-6,8H2,(H2,22,23,25,27)
InChIKeyFLZYPNLECKUVAT-UHFFFAOYSA-N
MW393.32 g/mol
LogP2.46
Rot. Bonds2

About 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 155955636) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID155955636
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c(C(F)(F)F)oc2ccccc12)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C18H14F3N3O4/c19-18(20,21)15-14(10-3-1-2-4-12(10)28-15)16(26)24-6-5-9(8-24)11-7-13(25)23-17(27)22-11/h1-4,7,9H,5-6,8H2,(H2,22,23,25,27)
InChIKeyFLZYPNLECKUVAT-UHFFFAOYSA-N
XLogP2.46
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 167899353
6-[1-[2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 154845324
6-[1-(2-fluoro-3-propan-2-ylbenzoyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 167772994
6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 126834305
N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide
CID 138031399
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 154873488
5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide
CID 166394355
1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
CID 166272118
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 110259313
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (CID 155955636) is 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is O=C(c1c(C(F)(F)F)oc2ccccc12)N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is FLZYPNLECKUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4/c19-18(20,21)15-14(10-3-1-2-4-12(10)28-15)16(26)24-6-5-9(8-24)11-7-13(25)23-17(27)22-11/h1-4,7,9H,5-6,8H2,(H2,22,23,25,27).
What are the key properties of 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 393.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155955636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).