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

C25H25FN2O4 — CID 25095605

IUPAC5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(C3CCCN3C(C)=O)c3c(c12)CC(C)O3
InChIInChI=1S/C25H25FN2O4/c1-13-11-18-21-20(12-17(24(18)31-13)19-5-4-10-28(19)14(2)29)32-23(22(21)25(30)27-3)15-6-8-16(26)9-7-15/h6-9,12-13,19H,4-5,10-11H2,1-3H3,(H,27,30)
InChIKeyZVHPNTFKDLPYMU-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.61
Rot. Bonds3

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

5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide (PubChem CID 25095605) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide.

Molecular Properties

Compound Name5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
PubChem CID25095605
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(C3CCCN3C(C)=O)c3c(c12)CC(C)O3
InChIInChI=1S/C25H25FN2O4/c1-13-11-18-21-20(12-17(24(18)31-13)19-5-4-10-28(19)14(2)29)32-23(22(21)25(30)27-3)15-6-8-16(26)9-7-15/h6-9,12-13,19H,4-5,10-11H2,1-3H3,(H,27,30)
InChIKeyZVHPNTFKDLPYMU-UHFFFAOYSA-N
XLogP4.61
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N,7-dimethyl-5-(methylamino)-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide
CID 25095607
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)-5-[4-[2-(2-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 91216499
2-[4-(4-fluorophenoxy)phenyl]-N,5-dimethyl-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
CID 57330361
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
(7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide
CID 121481142
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
6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-3-carboxamide
CID 69464102
2-(4-fluorophenyl)-5-hydroxy-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 122644531
8-(4-fluorophenyl)-N,4,5-trimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][1,4]benzodiazepine-7-carboxamide
CID 57330482
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
CID 10474183

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide?
The IUPAC name of 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide (CID 25095605) is 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide.
What is the SMILES notation for 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide?
The canonical SMILES for 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(C3CCCN3C(C)=O)c3c(c12)CC(C)O3.
What is the InChIKey of 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide?
The InChIKey is ZVHPNTFKDLPYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4/c1-13-11-18-21-20(12-17(24(18)31-13)19-5-4-10-28(19)14(2)29)32-23(22(21)25(30)27-3)15-6-8-16(26)9-7-15/h6-9,12-13,19H,4-5,10-11H2,1-3H3,(H,27,30).
What are the key properties of 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide?
5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-N,7-dimethyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxamide is sourced from PubChem (CID 25095605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).