5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide

C18H20FN3O3 — CID 75371035

IUPAC5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C2CCN(c3ccccc3F)C2=O)o1
InChIInChI=1S/C18H20FN3O3/c1-20-17(23)16-8-7-12(25-16)11-21(2)15-9-10-22(18(15)24)14-6-4-3-5-13(14)19/h3-8,15H,9-11H2,1-2H3,(H,20,23)
InChIKeyDSMSNOHPGJHFJB-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.02
Rot. Bonds5

About 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide

5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide (PubChem CID 75371035) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
PubChem CID75371035
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C2CCN(c3ccccc3F)C2=O)o1
InChIInChI=1S/C18H20FN3O3/c1-20-17(23)16-8-7-12(25-16)11-21(2)15-9-10-22(18(15)24)14-6-4-3-5-13(14)19/h3-8,15H,9-11H2,1-2H3,(H,20,23)
InChIKeyDSMSNOHPGJHFJB-UHFFFAOYSA-N
XLogP2.02
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 44585363
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-furancarboxamide
CID 2221968
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 2461510
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 2462607
N-(4-fluorophenyl)-1-(2-furylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815710
N-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2982164
5-Methyl-furan-2-carboxylic acid [(3-methoxy-phenylcarbamoyl)-methyl]-amide
CID 2989336

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide (CID 75371035) is 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CN(C)C2CCN(c3ccccc3F)C2=O)o1.
What is the InChIKey of 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is DSMSNOHPGJHFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-20-17(23)16-8-7-12(25-16)11-21(2)15-9-10-22(18(15)24)14-6-4-3-5-13(14)19/h3-8,15H,9-11H2,1-2H3,(H,20,23).
What are the key properties of 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 75371035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).