(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C18H17F3N2O3 — CID 94006173

IUPAC(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N2O3/c1-22(11-15-6-3-7-26-15)17(25)12-8-16(24)23(10-12)14-5-2-4-13(9-14)18(19,20)21/h2-7,9,12H,8,10-11H2,1H3/t12-/m0/s1
InChIKeyCPSXXDHPNKBDDL-LBPRGKRZSA-N
MW366.34 g/mol
LogP3.31
Rot. Bonds4

About (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 94006173) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID94006173
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N2O3/c1-22(11-15-6-3-7-26-15)17(25)12-8-16(24)23(10-12)14-5-2-4-13(9-14)18(19,20)21/h2-7,9,12H,8,10-11H2,1H3/t12-/m0/s1
InChIKeyCPSXXDHPNKBDDL-LBPRGKRZSA-N
XLogP3.31
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767497
(3S)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767495
1-(3-bromophenyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55675481
N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 71781358
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484
1-(furan-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 44777878
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 39911259
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42916348
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 51103022
4-(2-ethylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188642
4-(4-methylsulfonylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 42650720
N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 71935425

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 94006173) is (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CPSXXDHPNKBDDL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-22(11-15-6-3-7-26-15)17(25)12-8-16(24)23(10-12)14-5-2-4-13(9-14)18(19,20)21/h2-7,9,12H,8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94006173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).