2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide

C25H19F3N2O4 — CID 11525628

IUPAC2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
SMILESCOc1ccc(C2CC(=O)N(c3ccc(NC(=O)C(F)(F)F)cc3)C2)c2c1oc1ccccc12
InChIInChI=1S/C25H19F3N2O4/c1-33-20-11-10-17(22-18-4-2-3-5-19(18)34-23(20)22)14-12-21(31)30(13-14)16-8-6-15(7-9-16)29-24(32)25(26,27)28/h2-11,14H,12-13H2,1H3,(H,29,32)
InChIKeyQLWYEQUIVWXFPC-UHFFFAOYSA-N
MW468.43 g/mol
LogP5.62
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 11525628) has the molecular formula C25H19F3N2O4 and a molecular weight of 468.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID11525628
Molecular FormulaC25H19F3N2O4
Molecular Weight468.43 g/mol
Exact Mass468.13
IUPAC Name2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
SMILESCOc1ccc(C2CC(=O)N(c3ccc(NC(=O)C(F)(F)F)cc3)C2)c2c1oc1ccccc12
InChIInChI=1S/C25H19F3N2O4/c1-33-20-11-10-17(22-18-4-2-3-5-19(18)34-23(20)22)14-12-21(31)30(13-14)16-8-6-15(7-9-16)29-24(32)25(26,27)28/h2-11,14H,12-13H2,1H3,(H,29,32)
InChIKeyQLWYEQUIVWXFPC-UHFFFAOYSA-N
XLogP5.62
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
CID 11595198
4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 123719821
3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde
CID 143235906
1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
CID 54576448
4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
CID 70366402
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274
1-heptyl-4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one
CID 67452097
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 41128756
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43970689
1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919922

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide (CID 11525628) is 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide is COc1ccc(C2CC(=O)N(c3ccc(NC(=O)C(F)(F)F)cc3)C2)c2c1oc1ccccc12.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is QLWYEQUIVWXFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O4/c1-33-20-11-10-17(22-18-4-2-3-5-19(18)34-23(20)22)14-12-21(31)30(13-14)16-8-6-15(7-9-16)29-24(32)25(26,27)28/h2-11,14H,12-13H2,1H3,(H,29,32).
What are the key properties of 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 468.43 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 11525628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).