N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C21H24FN3O4 — CID 4963734

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H24FN3O4/c1-2-24(14-19(26)23-11-15-5-7-17(22)8-6-15)21(28)16-10-20(27)25(12-16)13-18-4-3-9-29-18/h3-9,16H,2,10-14H2,1H3,(H,23,26)
InChIKeyNFMOYDJOJDWZQO-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.93
Rot. Bonds8

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4963734) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4963734
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H24FN3O4/c1-2-24(14-19(26)23-11-15-5-7-17(22)8-6-15)21(28)16-10-20(27)25(12-16)13-18-4-3-9-29-18/h3-9,16H,2,10-14H2,1H3,(H,23,26)
InChIKeyNFMOYDJOJDWZQO-UHFFFAOYSA-N
XLogP1.93
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
CID 8008983
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
[2-(benzylamino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578938
2-[(4-chlorophenyl)methyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119193558
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55514579
(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95237254
(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 4963734) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NFMOYDJOJDWZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-2-24(14-19(26)23-11-15-5-7-17(22)8-6-15)21(28)16-10-20(27)25(12-16)13-18-4-3-9-29-18/h3-9,16H,2,10-14H2,1H3,(H,23,26).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4963734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).