5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide

C23H27F2NO5 — CID 167086000

IUPAC5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
SMILESC/C=C(F)\C(COc1ccc2oc(C)c(C(=O)NC3(CO)CCOCC3)c2c1)=C(/C)F
InChIInChI=1S/C23H27F2NO5/c1-4-19(25)18(14(2)24)12-30-16-5-6-20-17(11-16)21(15(3)31-20)22(28)26-23(13-27)7-9-29-10-8-23/h4-6,11,27H,7-10,12-13H2,1-3H3,(H,26,28)/b18-14+,19-4+
InChIKeyOQYSARQASNTQQS-YOGBDKIASA-N
MW435.47 g/mol
LogP4.51
Rot. Bonds7

About 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide

5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 167086000) has the molecular formula C23H27F2NO5 and a molecular weight of 435.47 g/mol. Its IUPAC name is 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID167086000
Molecular FormulaC23H27F2NO5
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
SMILESC/C=C(F)\C(COc1ccc2oc(C)c(C(=O)NC3(CO)CCOCC3)c2c1)=C(/C)F
InChIInChI=1S/C23H27F2NO5/c1-4-19(25)18(14(2)24)12-30-16-5-6-20-17(11-16)21(15(3)31-20)22(28)26-23(13-27)7-9-29-10-8-23/h4-6,11,27H,7-10,12-13H2,1-3H3,(H,26,28)/b18-14+,19-4+
InChIKeyOQYSARQASNTQQS-YOGBDKIASA-N
XLogP4.51
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-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

Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrimidin-4-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380766
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(5-methylpyrazin-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380239
N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide
CID 163379368
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379307
N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163381037
N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380438
N-(4-carbamoyloxan-4-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380093
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599515
7-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380663
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371

Frequently Asked Questions

What is the IUPAC name of 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide (CID 167086000) is 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide is C/C=C(F)\C(COc1ccc2oc(C)c(C(=O)NC3(CO)CCOCC3)c2c1)=C(/C)F.
What is the InChIKey of 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is OQYSARQASNTQQS-YOGBDKIASA-N. The full InChI is InChI=1S/C23H27F2NO5/c1-4-19(25)18(14(2)24)12-30-16-5-6-20-17(11-16)21(15(3)31-20)22(28)26-23(13-27)7-9-29-10-8-23/h4-6,11,27H,7-10,12-13H2,1-3H3,(H,26,28)/b18-14+,19-4+.
What are the key properties of 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide?
5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167086000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).