2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide

C20H19FN2O3 — CID 25095607

IUPAC2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC)c3c(c12)CC(C)O3
InChIInChI=1S/C20H19FN2O3/c1-10-8-13-16-15(9-14(22-2)19(13)25-10)26-18(17(16)20(24)23-3)11-4-6-12(21)7-5-11/h4-7,9-10,22H,8H2,1-3H3,(H,23,24)
InChIKeyPVSWCWAKSUFYDL-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide

2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide (PubChem CID 25095607) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
PubChem CID25095607
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC)c3c(c12)CC(C)O3
InChIInChI=1S/C20H19FN2O3/c1-10-8-13-16-15(9-14(22-2)19(13)25-10)26-18(17(16)20(24)23-3)11-4-6-12(21)7-5-11/h4-7,9-10,22H,8H2,1-3H3,(H,23,24)
InChIKeyPVSWCWAKSUFYDL-UHFFFAOYSA-N
XLogP3.96
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
CID 25095605
2-(4-fluorophenyl)-7-(hydroxymethyl)-N-methyl-5-[methyl(methylsulfonyl)amino]-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
CID 25095863
[2-(4-fluorophenyl)-6-(methylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]boronic acid
CID 144679662
methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate
CID 68735912
[2-(4-fluorophenyl)-1-(methylcarbamoyl)-5-[methyl(methylsulfonyl)amino]-7,8-dihydrofuro[3,2-e][1]benzofuran-7-yl]methyl methanesulfonate
CID 86641545
ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
CID 145056932
6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide
CID 69464102
4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
CID 123309644
[4-fluoro-2-(4-fluorophenyl)-6-methyl-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 118684753
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
2-[8-(4-fluorophenyl)-5-methyl-7-(methylcarbamoyl)-1,2,3,5-tetrahydrofuro[3,2-h][1,4]benzodiazepin-4-yl]acetic acid
CID 121481093
8-(4-fluorophenyl)-N,4,5-trimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][1,4]benzodiazepine-7-carboxamide
CID 57330482

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide (CID 25095607) is 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC)c3c(c12)CC(C)O3.
What is the InChIKey of 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide?
The InChIKey is PVSWCWAKSUFYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-10-8-13-16-15(9-14(22-2)19(13)25-10)26-18(17(16)20(24)23-3)11-4-6-12(21)7-5-11/h4-7,9-10,22H,8H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide?
2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide is sourced from PubChem (CID 25095607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).