5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide

C41H55FN2O3 — CID 126487394

IUPAC5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(C3CCCCCCCC(C4CCCCCCCCC4)CC3)cc12
InChIInChI=1S/C41H55FN2O3/c1-43-41(46)39-35-27-34(36(44-26-14-19-38(44)45)28-37(35)47-40(39)32-22-24-33(42)25-23-32)31-18-13-9-5-8-12-17-30(20-21-31)29-15-10-6-3-2-4-7-11-16-29/h22-25,27-31H,2-21,26H2,1H3,(H,43,46)
InChIKeyFMLIKNAYURZNMB-UHFFFAOYSA-N
MW642.90 g/mol
LogP11.09
Rot. Bonds5

About 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide

5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide (PubChem CID 126487394) has the molecular formula C41H55FN2O3 and a molecular weight of 642.90 g/mol. Its IUPAC name is 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
PubChem CID126487394
Molecular FormulaC41H55FN2O3
Molecular Weight642.90 g/mol
Exact Mass642.42
IUPAC Name5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(C3CCCCCCCC(C4CCCCCCCCC4)CC3)cc12
InChIInChI=1S/C41H55FN2O3/c1-43-41(46)39-35-27-34(36(44-26-14-19-38(44)45)28-37(35)47-40(39)32-22-24-33(42)25-23-32)31-18-13-9-5-8-12-17-30(20-21-31)29-15-10-6-3-2-4-7-11-16-29/h22-25,27-31H,2-21,26H2,1H3,(H,43,46)
InChIKeyFMLIKNAYURZNMB-UHFFFAOYSA-N
XLogP11.09
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.90
LogP ≤ 511.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[4-(4-fluorophenoxy)phenyl]-N,5-dimethyl-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
CID 57330361
8-(4-fluorophenyl)-N,5-dimethyl-1-methylsulfonyl-2-(methylsulfonylmethyl)-3,5-dihydro-2H-furo[3,2-h][4,1]benzoxazepine-7-carboxamide
CID 70800874
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]-1-benzofuran-3-carboxamide
CID 44514422
2-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121356422
(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
5-(4-fluorophenyl)-15-methylsulfonyl-N-(trideuteriomethyl)-4-oxa-15-azatetracyclo[7.6.0.03,7.010,12]pentadeca-1(9),2,5,7-tetraene-6-carboxamide
CID 88981652
6-(3-chloro-N-methylsulfonyl-4-nitroanilino)-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 131732254
2-(4-fluorophenyl)-N-methyl-5-[4-(oxan-2-yloxy)phenyl]-1-benzofuran-3-carboxamide
CID 59275605
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonylmethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66663778
5-cyclopropyl-2-(4-fluorophenyl)-6-[3-(2-hydroxyethoxy)propylsulfonylamino]-N-methyl-1-benzofuran-3-carboxamide
CID 134263235

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide (CID 126487394) is 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(C3CCCCCCCC(C4CCCCCCCCC4)CC3)cc12.
What is the InChIKey of 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The InChIKey is FMLIKNAYURZNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H55FN2O3/c1-43-41(46)39-35-27-34(36(44-26-14-19-38(44)45)28-37(35)47-40(39)32-22-24-33(42)25-23-32)31-18-13-9-5-8-12-17-30(20-21-31)29-15-10-6-3-2-4-7-11-16-29/h22-25,27-31H,2-21,26H2,1H3,(H,43,46).
What are the key properties of 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide has a molecular weight of 642.90 g/mol, XLogP of 11.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126487394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).