N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H20F3N3O5 — CID 43053981

IUPACN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)CC2=O)c1
InChIInChI=1S/C24H20F3N3O5/c1-34-17-5-2-4-16(12-17)30-13-14(10-21(30)31)22(32)29-19-8-7-15(11-18(19)24(25,26)27)28-23(33)20-6-3-9-35-20/h2-9,11-12,14H,10,13H2,1H3,(H,28,33)(H,29,32)
InChIKeyYKNCLJGIQNKXEO-UHFFFAOYSA-N
MW487.43 g/mol
LogP4.55
Rot. Bonds6

About N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43053981) has the molecular formula C24H20F3N3O5 and a molecular weight of 487.43 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43053981
Molecular FormulaC24H20F3N3O5
Molecular Weight487.43 g/mol
Exact Mass487.14
IUPAC NameN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)CC2=O)c1
InChIInChI=1S/C24H20F3N3O5/c1-34-17-5-2-4-16(12-17)30-13-14(10-21(30)31)22(32)29-19-8-7-15(11-18(19)24(25,26)27)28-23(33)20-6-3-9-35-20/h2-9,11-12,14H,10,13H2,1H3,(H,28,33)(H,29,32)
InChIKeyYKNCLJGIQNKXEO-UHFFFAOYSA-N
XLogP4.55
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053983
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
(3R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933901
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260278
(3S)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42017745
(3S)-N-(1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388404
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388317
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 43059825
1-(1,3-benzodioxol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46402214
1-(3-chlorophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43072059
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 43053981) is N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)CC2=O)c1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YKNCLJGIQNKXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O5/c1-34-17-5-2-4-16(12-17)30-13-14(10-21(30)31)22(32)29-19-8-7-15(11-18(19)24(25,26)27)28-23(33)20-6-3-9-35-20/h2-9,11-12,14H,10,13H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 487.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43053981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).