2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide

C18H20INO2 — CID 1336727

IUPAC2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
SMILESCC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C18H20INO2/c1-3-13(2)14-4-10-17(11-5-14)22-12-18(21)20-16-8-6-15(19)7-9-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyKMUJLOHACVYDEU-CYBMUJFWSA-N
MW409.27 g/mol
LogP4.82
Rot. Bonds6

About 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide (PubChem CID 1336727) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
PubChem CID1336727
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
SMILESCC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C18H20INO2/c1-3-13(2)14-4-10-17(11-5-14)22-12-18(21)20-16-8-6-15(19)7-9-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyKMUJLOHACVYDEU-CYBMUJFWSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
dimethyl 5-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 1017629

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide (CID 1336727) is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide is CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide?
The InChIKey is KMUJLOHACVYDEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20INO2/c1-3-13(2)14-4-10-17(11-5-14)22-12-18(21)20-16-8-6-15(19)7-9-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide?
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide has a molecular weight of 409.27 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 1336727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).