N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C19H20F2N2O4 — CID 55715320

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H20F2N2O4/c1-12(13-4-2-5-15(8-13)27-19(20)21)22-18(25)14-9-17(24)23(10-14)11-16-6-3-7-26-16/h2-8,12,14,19H,9-11H2,1H3,(H,22,25)
InChIKeyUQQYIATXWDMKHA-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.11
Rot. Bonds7

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55715320) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55715320
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H20F2N2O4/c1-12(13-4-2-5-15(8-13)27-19(20)21)22-18(25)14-9-17(24)23(10-14)11-16-6-3-7-26-16/h2-8,12,14,19H,9-11H2,1H3,(H,22,25)
InChIKeyUQQYIATXWDMKHA-UHFFFAOYSA-N
XLogP3.11
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75807379
methyl (2R,3S)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoate
CID 100900759
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
1-(furan-2-ylmethyl)-5-oxo-N'-(2-phenoxypropanoyl)pyrrolidine-3-carbohydrazide
CID 17232666
(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95019921
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42904565
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 96520264
(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 94116635
(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 35751451
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 55715320) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UQQYIATXWDMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-12(13-4-2-5-15(8-13)27-19(20)21)22-18(25)14-9-17(24)23(10-14)11-16-6-3-7-26-16/h2-8,12,14,19H,9-11H2,1H3,(H,22,25).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55715320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).