1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C20H24FN3O3 — CID 47025093

IUPAC1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCN(C(=O)CN1CCCC1C(=O)NCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3/c1-2-24(16-9-7-15(21)8-10-16)19(25)14-23-11-3-6-18(23)20(26)22-13-17-5-4-12-27-17/h4-5,7-10,12,18H,2-3,6,11,13-14H2,1H3,(H,22,26)
InChIKeyWFNIUFMFXXBVFG-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.55
Rot. Bonds7

About 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 47025093) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID47025093
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCN(C(=O)CN1CCCC1C(=O)NCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3/c1-2-24(16-9-7-15(21)8-10-16)19(25)14-23-11-3-6-18(23)20(26)22-13-17-5-4-12-27-17/h4-5,7-10,12,18H,2-3,6,11,13-14H2,1H3,(H,22,26)
InChIKeyWFNIUFMFXXBVFG-UHFFFAOYSA-N
XLogP2.55
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
(2R)-1-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38775077
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857324
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55578962
N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81495949
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958
(2R)-N-(furan-2-ylmethyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 38775053
1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 154838099
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774108
methyl 5-[2-[(2R)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 33370117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 47025093) is 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is CCN(C(=O)CN1CCCC1C(=O)NCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is WFNIUFMFXXBVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-2-24(16-9-7-15(21)8-10-16)19(25)14-23-11-3-6-18(23)20(26)22-13-17-5-4-12-27-17/h4-5,7-10,12,18H,2-3,6,11,13-14H2,1H3,(H,22,26).
What are the key properties of 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47025093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).