4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide

C27H25F2NO6 — CID 10128241

IUPAC4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
SMILESCC(C)(CC(O)(Cc1cc(F)ccc1O)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O
InChIInChI=1S/C27H25F2NO6/c1-26(2,21-11-18(29)4-8-23(21)32)14-27(35,12-15-9-17(28)3-7-22(15)31)25(34)30-19-5-6-20-16(10-19)13-36-24(20)33/h3-11,31-32,35H,12-14H2,1-2H3,(H,30,34)
InChIKeyHNZIGOHGPKUPFH-UHFFFAOYSA-N
MW497.49 g/mol
LogP4.33
Rot. Bonds7

About 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide

4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide (PubChem CID 10128241) has the molecular formula C27H25F2NO6 and a molecular weight of 497.49 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
PubChem CID10128241
Molecular FormulaC27H25F2NO6
Molecular Weight497.49 g/mol
Exact Mass497.16
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
SMILESCC(C)(CC(O)(Cc1cc(F)ccc1O)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O
InChIInChI=1S/C27H25F2NO6/c1-26(2,21-11-18(29)4-8-23(21)32)14-27(35,12-15-9-17(28)3-7-22(15)31)25(34)30-19-5-6-20-16(10-19)13-36-24(20)33/h3-11,31-32,35H,12-14H2,1-2H3,(H,30,34)
InChIKeyHNZIGOHGPKUPFH-UHFFFAOYSA-N
XLogP4.33
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-bromophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 10128783
2-[(3-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 10217766
4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(trifluoromethyl)pentanamide;5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one
CID 161081544
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
3-[(3-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-5-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)hexanamide
CID 87313217
2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-3,4-dimethyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 150255254
2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
CID 10287636
[4-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(1-oxo-3H-2-benzofuran-5-yl)carbamoyl]pentan-2-yl]phenyl] benzoate
CID 174394259
2-benzyl-N-(3,5-dimethylphenyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide
CID 10216725
2-(1-cyclohexa-1,3-dien-1-ylethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 142265041
2-hydroxy-4-methyl-2-[(1-methyl-2H-pyridin-6-yl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
CID 142265016
4-(1,3-benzodioxol-4-yl)-2-ethynyl-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 15950239

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide (CID 10128241) is 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide is CC(C)(CC(O)(Cc1cc(F)ccc1O)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
The InChIKey is HNZIGOHGPKUPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2NO6/c1-26(2,21-11-18(29)4-8-23(21)32)14-27(35,12-15-9-17(28)3-7-22(15)31)25(34)30-19-5-6-20-16(10-19)13-36-24(20)33/h3-11,31-32,35H,12-14H2,1-2H3,(H,30,34).
What are the key properties of 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide?
4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide has a molecular weight of 497.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-hydroxyphenyl)-2-[(5-fluoro-2-hydroxyphenyl)methyl]-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide is sourced from PubChem (CID 10128241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).