2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide

C14H17F3INO3 — CID 141062161

IUPAC2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCOc1cc(I)ccc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F
InChIInChI=1S/C14H17F3INO3/c1-12(2,7-13(21,11(19)20)14(15,16)17)9-5-4-8(18)6-10(9)22-3/h4-6,21H,7H2,1-3H3,(H2,19,20)
InChIKeyAEHSARVHRZSLQA-UHFFFAOYSA-N
MW431.19 g/mol
LogP2.75
Rot. Bonds5

About 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide

2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide (PubChem CID 141062161) has the molecular formula C14H17F3INO3 and a molecular weight of 431.19 g/mol. Its IUPAC name is 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide
PubChem CID141062161
Molecular FormulaC14H17F3INO3
Molecular Weight431.19 g/mol
Exact Mass431.02
IUPAC Name2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCOc1cc(I)ccc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F
InChIInChI=1S/C14H17F3INO3/c1-12(2,7-13(21,11(19)20)14(15,16)17)9-5-4-8(18)6-10(9)22-3/h4-6,21H,7H2,1-3H3,(H2,19,20)
InChIKeyAEHSARVHRZSLQA-UHFFFAOYSA-N
XLogP2.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.19
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 141062160
1-(3,5-dimethylphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentan-1-one
CID 58959952
methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate
CID 73427483
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-1-pyridin-4-yl-2-(trifluoromethyl)pentan-1-one
CID 67102307
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 11753938
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
3-(5-iodo-2-methoxyphenyl)-3-methylbutanoic acid
CID 79830010
(Z)-2-amino-6-(2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814251
1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43161666
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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide (CID 141062161) is 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide is COc1cc(I)ccc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F.
What is the InChIKey of 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide?
The InChIKey is AEHSARVHRZSLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3INO3/c1-12(2,7-13(21,11(19)20)14(15,16)17)9-5-4-8(18)6-10(9)22-3/h4-6,21H,7H2,1-3H3,(H2,19,20).
What are the key properties of 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide?
2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide has a molecular weight of 431.19 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 141062161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).