4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide

C23H23FN2O5 — CID 175486611

IUPAC4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OC(CO)c3ccccc3F)c(C3(C(N)=O)CCC3)c2c1C(N)=O
InChIInChI=1S/C23H23FN2O5/c1-12-18(21(25)28)19-15(30-12)7-8-16(20(19)23(22(26)29)9-4-10-23)31-17(11-27)13-5-2-3-6-14(13)24/h2-3,5-8,17,27H,4,9-11H2,1H3,(H2,25,28)(H2,26,29)
InChIKeyNFIRAAPDIWUDCC-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.00
Rot. Bonds7

About 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide

4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 175486611) has the molecular formula C23H23FN2O5 and a molecular weight of 426.44 g/mol. Its IUPAC name is 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID175486611
Molecular FormulaC23H23FN2O5
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OC(CO)c3ccccc3F)c(C3(C(N)=O)CCC3)c2c1C(N)=O
InChIInChI=1S/C23H23FN2O5/c1-12-18(21(25)28)19-15(30-12)7-8-16(20(19)23(22(26)29)9-4-10-23)31-17(11-27)13-5-2-3-6-14(13)24/h2-3,5-8,17,27H,4,9-11H2,1H3,(H2,25,28)(H2,26,29)
InChIKeyNFIRAAPDIWUDCC-UHFFFAOYSA-N
XLogP3.00
TPSA128.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 175486611) is 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OC(CO)c3ccccc3F)c(C3(C(N)=O)CCC3)c2c1C(N)=O.
What is the InChIKey of 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is NFIRAAPDIWUDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5/c1-12-18(21(25)28)19-15(30-12)7-8-16(20(19)23(22(26)29)9-4-10-23)31-17(11-27)13-5-2-3-6-14(13)24/h2-3,5-8,17,27H,4,9-11H2,1H3,(H2,25,28)(H2,26,29).
What are the key properties of 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide?
4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-carbamoylcyclobutyl)-5-[1-(2-fluorophenyl)-2-hydroxyethoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175486611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).