2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide

C19H20F4N2O3 — CID 86962608

IUPAC2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCCC1c1ccco1
InChIInChI=1S/C19H20F4N2O3/c20-17(21)19(22,23)12-27-11-13-4-1-5-14(10-13)24-18(26)25-8-2-6-15(25)16-7-3-9-28-16/h1,3-5,7,9-10,15,17H,2,6,8,11-12H2,(H,24,26)
InChIKeyJUVKSMSNQWASIB-UHFFFAOYSA-N
MW400.37 g/mol
LogP5.07
Rot. Bonds7

About 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide

2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 86962608) has the molecular formula C19H20F4N2O3 and a molecular weight of 400.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID86962608
Molecular FormulaC19H20F4N2O3
Molecular Weight400.37 g/mol
Exact Mass400.14
IUPAC Name2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCCC1c1ccco1
InChIInChI=1S/C19H20F4N2O3/c20-17(21)19(22,23)12-27-11-13-4-1-5-14(10-13)24-18(26)25-8-2-6-15(25)16-7-3-9-28-16/h1,3-5,7,9-10,15,17H,2,6,8,11-12H2,(H,24,26)
InChIKeyJUVKSMSNQWASIB-UHFFFAOYSA-N
XLogP5.07
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.37
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86877132
2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118828
4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
CID 51118830
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012
1-(1-phenylpiperidin-3-yl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86960333
(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20896018
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194
(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99354971
(2R,3S)-2-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120925437

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide (CID 86962608) is 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCCC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is JUVKSMSNQWASIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O3/c20-17(21)19(22,23)12-27-11-13-4-1-5-14(10-13)24-18(26)25-8-2-6-15(25)16-7-3-9-28-16/h1,3-5,7,9-10,15,17H,2,6,8,11-12H2,(H,24,26).
What are the key properties of 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide?
2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 400.37 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86962608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).