N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide

C22H25F4NO5 — CID 11753938

IUPACN-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCOc1cc(NC(=O)C(O)(CC(C)(C)c2cc(F)ccc2OC)C(F)(F)F)cc(OC)c1
InChIInChI=1S/C22H25F4NO5/c1-20(2,17-8-13(23)6-7-18(17)32-5)12-21(29,22(24,25)26)19(28)27-14-9-15(30-3)11-16(10-14)31-4/h6-11,29H,12H2,1-5H3,(H,27,28)
InChIKeyPDLJQVMEKYKWIR-UHFFFAOYSA-N
MW459.44 g/mol
LogP4.45
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide

N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide (PubChem CID 11753938) has the molecular formula C22H25F4NO5 and a molecular weight of 459.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
PubChem CID11753938
Molecular FormulaC22H25F4NO5
Molecular Weight459.44 g/mol
Exact Mass459.17
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCOc1cc(NC(=O)C(O)(CC(C)(C)c2cc(F)ccc2OC)C(F)(F)F)cc(OC)c1
InChIInChI=1S/C22H25F4NO5/c1-20(2,17-8-13(23)6-7-18(17)32-5)12-21(29,22(24,25)26)19(28)27-14-9-15(30-3)11-16(10-14)31-4/h6-11,29H,12H2,1-5H3,(H,27,28)
InChIKeyPDLJQVMEKYKWIR-UHFFFAOYSA-N
XLogP4.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentan-1-one
CID 58959952
N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 10052412
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-1-pyridin-4-yl-2-(trifluoromethyl)pentan-1-one
CID 67102307
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-pyridin-3-yl-2-(trifluoromethyl)pentanamide
CID 10000200
[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-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
CID 10216611
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176113
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-methylpentanoic acid
CID 22284900
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2,3,5-trifluorophenyl)methyl]pentan-2-ol
CID 10151117
(2S)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfinylmethyl]pentan-2-ol
CID 69415325

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide (CID 11753938) is N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide is COc1cc(NC(=O)C(O)(CC(C)(C)c2cc(F)ccc2OC)C(F)(F)F)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The InChIKey is PDLJQVMEKYKWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4NO5/c1-20(2,17-8-13(23)6-7-18(17)32-5)12-21(29,22(24,25)26)19(28)27-14-9-15(30-3)11-16(10-14)31-4/h6-11,29H,12H2,1-5H3,(H,27,28).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide has a molecular weight of 459.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 11753938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).