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

C17H15F3N2O4 — CID 7987637

IUPAC(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H15F3N2O4/c18-17(19,20)26-13-5-3-12(4-6-13)21-16(24)11-8-15(23)22(9-11)10-14-2-1-7-25-14/h1-7,11H,8-10H2,(H,21,24)/t11-/m0/s1
InChIKeyUQCYNRQDKMPPNQ-NSHDSACASA-N
MW368.31 g/mol
LogP3.17
Rot. Bonds5

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

(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 7987637) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID7987637
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H15F3N2O4/c18-17(19,20)26-13-5-3-12(4-6-13)21-16(24)11-8-15(23)22(9-11)10-14-2-1-7-25-14/h1-7,11H,8-10H2,(H,21,24)/t11-/m0/s1
InChIKeyUQCYNRQDKMPPNQ-NSHDSACASA-N
XLogP3.17
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyrimidin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55920995
1-(furan-2-ylmethyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42653905
1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 112815033
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
1-(furan-2-ylmethyl)-5-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55714338
N-[4-(tert-butylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55549537
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 35753646
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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (CID 7987637) is (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UQCYNRQDKMPPNQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H15F3N2O4/c18-17(19,20)26-13-5-3-12(4-6-13)21-16(24)11-8-15(23)22(9-11)10-14-2-1-7-25-14/h1-7,11H,8-10H2,(H,21,24)/t11-/m0/s1.
What are the key properties of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 368.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7987637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).