1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C19H18F3N3O4 — CID 112815033

IUPAC1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)11-23-17(27)12-3-5-14(6-4-12)24-18(28)13-8-16(26)25(9-13)10-15-2-1-7-29-15/h1-7,13H,8-11H2,(H,23,27)(H,24,28)
InChIKeyRKEROUIRYBJNMP-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.56
Rot. Bonds6

About 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 112815033) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID112815033
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)11-23-17(27)12-3-5-14(6-4-12)24-18(28)13-8-16(26)25(9-13)10-15-2-1-7-29-15/h1-7,13H,8-11H2,(H,23,27)(H,24,28)
InChIKeyRKEROUIRYBJNMP-UHFFFAOYSA-N
XLogP2.56
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(tert-butylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55549537
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 7987637
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 35753646
1-(furan-2-ylmethyl)-5-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55714338
1-(furan-2-ylmethyl)-5-oxo-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 75801363
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 112815033) is 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RKEROUIRYBJNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c20-19(21,22)11-23-17(27)12-3-5-14(6-4-12)24-18(28)13-8-16(26)25(9-13)10-15-2-1-7-29-15/h1-7,13H,8-11H2,(H,23,27)(H,24,28).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 409.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 112815033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).