2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide

C26H30FNO5 — CID 150255254

IUPAC2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
SMILESCC(C(C)(C)c1cc(F)ccc1O)C(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1
InChIInChI=1S/C26H30FNO5/c1-15(25(2,3)21-13-18(27)8-11-22(21)29)26(32,17-6-4-5-7-17)24(31)28-19-9-10-20-16(12-19)14-33-23(20)30/h8-13,15,17,29,32H,4-7,14H2,1-3H3,(H,28,31)
InChIKeyGAKOSYVFXBRTAK-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.68
Rot. Bonds6

About 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide

2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide (PubChem CID 150255254) has the molecular formula C26H30FNO5 and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide.

Molecular Properties

Compound Name2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
PubChem CID150255254
Molecular FormulaC26H30FNO5
Molecular Weight455.53 g/mol
Exact Mass455.21
IUPAC Name2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
SMILESCC(C(C)(C)c1cc(F)ccc1O)C(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1
InChIInChI=1S/C26H30FNO5/c1-15(25(2,3)21-13-18(27)8-11-22(21)29)26(32,17-6-4-5-7-17)24(31)28-19-9-10-20-16(12-19)14-33-23(20)30/h8-13,15,17,29,32H,4-7,14H2,1-3H3,(H,28,31)
InChIKeyGAKOSYVFXBRTAK-UHFFFAOYSA-N
XLogP4.68
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide 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 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The IUPAC name of 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide (CID 150255254) is 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide.
What is the SMILES notation for 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The canonical SMILES for 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide is CC(C(C)(C)c1cc(F)ccc1O)C(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The InChIKey is GAKOSYVFXBRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO5/c1-15(25(2,3)21-13-18(27)8-11-22(21)29)26(32,17-6-4-5-7-17)24(31)28-19-9-10-20-16(12-19)14-33-23(20)30/h8-13,15,17,29,32H,4-7,14H2,1-3H3,(H,28,31).
What are the key properties of 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide has a molecular weight of 455.53 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide is sourced from PubChem (CID 150255254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).