2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide

C31H32FNO4 — CID 58472951

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide
SMILESCCCOc1cc(C(=O)CCC(C)C)cc(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2)c1
InChIInChI=1S/C31H32FNO4/c1-5-14-36-25-16-22(15-23(17-25)27(34)12-6-19(2)3)21-9-13-28-26(18-21)29(31(35)33-4)30(37-28)20-7-10-24(32)11-8-20/h7-11,13,15-19H,5-6,12,14H2,1-4H3,(H,33,35)
InChIKeyXFCXIJYVSQFXLR-UHFFFAOYSA-N
MW501.60 g/mol
LogP7.67
Rot. Bonds10

About 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide (PubChem CID 58472951) has the molecular formula C31H32FNO4 and a molecular weight of 501.60 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide
PubChem CID58472951
Molecular FormulaC31H32FNO4
Molecular Weight501.60 g/mol
Exact Mass501.23
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide
SMILESCCCOc1cc(C(=O)CCC(C)C)cc(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2)c1
InChIInChI=1S/C31H32FNO4/c1-5-14-36-25-16-22(15-23(17-25)27(34)12-6-19(2)3)21-9-13-28-26(18-21)29(31(35)33-4)30(37-28)20-7-10-24(32)11-8-20/h7-11,13,15-19H,5-6,12,14H2,1-4H3,(H,33,35)
InChIKeyXFCXIJYVSQFXLR-UHFFFAOYSA-N
XLogP7.67
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.60
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-ethoxy-5-(4-methylpentanoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472942
2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propan-2-yloxyphenyl]-1-benzofuran-3-carboxamide
CID 58472511
2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-1-benzofuran-3-carboxamide
CID 58472526
5-[4-chloro-3-(4-methylpentanoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472762
5-[2-(3-aminopropoxy)-5-(4-methylpentanoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472875
2-(4-fluorophenyl)-N-methyl-5-[3-[2-(2-methylimidazol-1-yl)ethoxy]-5-(2-methylpropylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275271
2-(4-fluorophenyl)-N-methyl-5-[3-(3-methylbutylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275255
2-(4-fluorophenyl)-5-[2-(2-hydroxyethoxy)-5-(2-methylpropylcarbamoyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275173
ethane;5-[3-(ethylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 143956901
3-amino-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 143956974
5-(3-carbamoylphenyl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275770
2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472649

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide (CID 58472951) is 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide is CCCOc1cc(C(=O)CCC(C)C)cc(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide?
The InChIKey is XFCXIJYVSQFXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FNO4/c1-5-14-36-25-16-22(15-23(17-25)27(34)12-6-19(2)3)21-9-13-28-26(18-21)29(31(35)33-4)30(37-28)20-7-10-24(32)11-8-20/h7-11,13,15-19H,5-6,12,14H2,1-4H3,(H,33,35).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide has a molecular weight of 501.60 g/mol, XLogP of 7.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-(4-methylpentanoyl)-5-propoxyphenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 58472951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).