2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide

C19H21ClFNO3 — CID 150464749

IUPAC2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide
SMILESCC(C)(CC(O)(Cc1ccccc1Cl)C(N)=O)c1cc(F)ccc1O
InChIInChI=1S/C19H21ClFNO3/c1-18(2,14-9-13(21)7-8-16(14)23)11-19(25,17(22)24)10-12-5-3-4-6-15(12)20/h3-9,23,25H,10-11H2,1-2H3,(H2,22,24)
InChIKeyHQNNXWSYVKEEMG-UHFFFAOYSA-N
MW365.83 g/mol
LogP3.31
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide

2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide (PubChem CID 150464749) has the molecular formula C19H21ClFNO3 and a molecular weight of 365.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide
PubChem CID150464749
Molecular FormulaC19H21ClFNO3
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide
SMILESCC(C)(CC(O)(Cc1ccccc1Cl)C(N)=O)c1cc(F)ccc1O
InChIInChI=1S/C19H21ClFNO3/c1-18(2,14-9-13(21)7-8-16(14)23)11-19(25,17(22)24)10-12-5-3-4-6-15(12)20/h3-9,23,25H,10-11H2,1-2H3,(H2,22,24)
InChIKeyHQNNXWSYVKEEMG-UHFFFAOYSA-N
XLogP3.31
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
CID 10287636
2-benzyl-N-(3,5-dimethylphenyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide
CID 10216725
2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
CID 58959924
2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284930
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-[4-[(3-chloroquinolin-4-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-4-fluorophenol
CID 10173613
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
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
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-2-ol
CID 65145046
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-fluoro-2-[5,5,5-trifluoro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol
CID 58959967
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide (CID 150464749) is 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide is CC(C)(CC(O)(Cc1ccccc1Cl)C(N)=O)c1cc(F)ccc1O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide?
The InChIKey is HQNNXWSYVKEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO3/c1-18(2,14-9-13(21)7-8-16(14)23)11-19(25,17(22)24)10-12-5-3-4-6-15(12)20/h3-9,23,25H,10-11H2,1-2H3,(H2,22,24).
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide?
2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide has a molecular weight of 365.83 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 150464749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).