2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide

C24H19FN2O3 — CID 59275513

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1cccc(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2)c1
InChIInChI=1S/C24H19FN2O3/c1-26-23(28)17-5-3-4-15(12-17)16-8-11-20-19(13-16)21(24(29)27-2)22(30-20)14-6-9-18(25)10-7-14/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyMGRDLTIHXNNFMI-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.63
Rot. Bonds4

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

2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275513) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID59275513
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1cccc(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2)c1
InChIInChI=1S/C24H19FN2O3/c1-26-23(28)17-5-3-4-15(12-17)16-8-11-20-19(13-16)21(24(29)27-2)22(30-20)14-6-9-18(25)10-7-14/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyMGRDLTIHXNNFMI-UHFFFAOYSA-N
XLogP4.63
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide (CID 59275513) is 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1cccc(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is MGRDLTIHXNNFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-26-23(28)17-5-3-4-15(12-17)16-8-11-20-19(13-16)21(24(29)27-2)22(30-20)14-6-9-18(25)10-7-14/h3-13H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-(methylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).