2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide

C51H58F2N2O10 — CID 87275853

IUPAC2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
SMILESCC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1)c1cc(F)ccc1O.COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1
InChIInChI=1S/C26H30FNO5.C25H28FNO5/c1-25(2,21-13-18(27)8-11-22(21)32-3)15-26(31,17-6-4-5-7-17)24(30)28-19-9-10-20-16(12-19)14-33-23(20)29;1-24(2,20-12-17(26)7-10-21(20)28)14-25(31,16-5-3-4-6-16)23(30)27-18-8-9-19-15(11-18)13-32-22(19)29/h8-13,17,31H,4-7,14-15H2,1-3H3,(H,28,30);7-12,16,28,31H,3-6,13-14H2,1-2H3,(H,27,30)
InChIKeyUSJASIPUIMCNPD-UHFFFAOYSA-N
MW897.03 g/mol
LogP9.16
Rot. Bonds13

About 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide

2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide (PubChem CID 87275853) has the molecular formula C51H58F2N2O10 and a molecular weight of 897.03 g/mol. Its IUPAC name is 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide.

Molecular Properties

Compound Name2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
PubChem CID87275853
Molecular FormulaC51H58F2N2O10
Molecular Weight897.03 g/mol
Exact Mass896.41
IUPAC Name2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
SMILESCC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1)c1cc(F)ccc1O.COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1
InChIInChI=1S/C26H30FNO5.C25H28FNO5/c1-25(2,21-13-18(27)8-11-22(21)32-3)15-26(31,17-6-4-5-7-17)24(30)28-19-9-10-20-16(12-19)14-33-23(20)29;1-24(2,20-12-17(26)7-10-21(20)28)14-25(31,16-5-3-4-6-16)23(30)27-18-8-9-19-15(11-18)13-32-22(19)29/h8-13,17,31H,4-7,14-15H2,1-3H3,(H,28,30);7-12,16,28,31H,3-6,13-14H2,1-2H3,(H,27,30)
InChIKeyUSJASIPUIMCNPD-UHFFFAOYSA-N
XLogP9.16
TPSA180.72 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.03
LogP ≤ 59.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The IUPAC name of 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide (CID 87275853) is 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide.
What is the SMILES notation for 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The canonical SMILES for 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide is CC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1)c1cc(F)ccc1O.COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The InChIKey is USJASIPUIMCNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO5.C25H28FNO5/c1-25(2,21-13-18(27)8-11-22(21)32-3)15-26(31,17-6-4-5-7-17)24(30)28-19-9-10-20-16(12-19)14-33-23(20)29;1-24(2,20-12-17(26)7-10-21(20)28)14-25(31,16-5-3-4-6-16)23(30)27-18-8-9-19-15(11-18)13-32-22(19)29/h8-13,17,31H,4-7,14-15H2,1-3H3,(H,28,30);7-12,16,28,31H,3-6,13-14H2,1-2H3,(H,27,30).
What are the key properties of 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide has a molecular weight of 897.03 g/mol, XLogP of 9.16, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide is sourced from PubChem (CID 87275853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).