3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide

C19H18IN3O4 — CID 143036854

IUPAC3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide
SMILESCC(=O)Nc1ccc(OCC(C)(O)C(=O)Nc2ccc(C#N)c(I)c2)cc1
InChIInChI=1S/C19H18IN3O4/c1-12(24)22-14-5-7-16(8-6-14)27-11-19(2,26)18(25)23-15-4-3-13(10-21)17(20)9-15/h3-9,26H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNQOJGVXJNKHRTQ-UHFFFAOYSA-N
MW479.27 g/mol
LogP2.89
Rot. Bonds6

About 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide

3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 143036854) has the molecular formula C19H18IN3O4 and a molecular weight of 479.27 g/mol. Its IUPAC name is 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide
PubChem CID143036854
Molecular FormulaC19H18IN3O4
Molecular Weight479.27 g/mol
Exact Mass479.03
IUPAC Name3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide
SMILESCC(=O)Nc1ccc(OCC(C)(O)C(=O)Nc2ccc(C#N)c(I)c2)cc1
InChIInChI=1S/C19H18IN3O4/c1-12(24)22-14-5-7-16(8-6-14)27-11-19(2,26)18(25)23-15-4-3-13(10-21)17(20)9-15/h3-9,26H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNQOJGVXJNKHRTQ-UHFFFAOYSA-N
XLogP2.89
TPSA111.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.27
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-cyano-3-iodophenyl)-2-hydroxy-3-(4-iodophenoxy)-2-methylpropanamide
CID 11786138
tert-butyl N-[4-[(2S)-3-(4-cyano-3-iodoanilino)-2-hydroxy-2-methyl-3-oxopropoxy]phenyl]carbamate
CID 102352611
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide
CID 71022253
3-(4-chlorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 67311921
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-ethylphenoxy)-2-hydroxy-2-methylpropanamide
CID 166112142
(2S)-N-(4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 142885777
(2S)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methyl-3-(4-methylphenoxy)propanamide
CID 58592438
(2S)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide;(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)-3-(4-methylphenoxy)propanamide
CID 161391813
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
CID 58619244
3-[3,5-bis(trifluoromethyl)phenoxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 127043517

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide (CID 143036854) is 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide is CC(=O)Nc1ccc(OCC(C)(O)C(=O)Nc2ccc(C#N)c(I)c2)cc1.
What is the InChIKey of 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is NQOJGVXJNKHRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O4/c1-12(24)22-14-5-7-16(8-6-14)27-11-19(2,26)18(25)23-15-4-3-13(10-21)17(20)9-15/h3-9,26H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide?
3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 479.27 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 143036854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).