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

C18H19FINO2 — CID 2210153

IUPAC2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
SMILESCC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C18H19FINO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-9-6-14(20)10-16(17)19/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyBXZNYLSMZUGERF-GFCCVEGCSA-N
MW427.26 g/mol
LogP4.96
Rot. Bonds6

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

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide (PubChem CID 2210153) has the molecular formula C18H19FINO2 and a molecular weight of 427.26 g/mol. Its IUPAC name is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
PubChem CID2210153
Molecular FormulaC18H19FINO2
Molecular Weight427.26 g/mol
Exact Mass427.04
IUPAC Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
SMILESCC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C18H19FINO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-9-6-14(20)10-16(17)19/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyBXZNYLSMZUGERF-GFCCVEGCSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 54.96
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-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
CID 2979931
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 22780659
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 6544251
N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
CID 40553112
N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 21209219

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide?
The IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide (CID 2210153) is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide?
The canonical SMILES for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide is CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1.
What is the InChIKey of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide?
The InChIKey is BXZNYLSMZUGERF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FINO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-9-6-14(20)10-16(17)19/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide?
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide has a molecular weight of 427.26 g/mol, XLogP of 4.96, 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-(2-fluoro-4-iodophenyl)acetamide is sourced from PubChem (CID 2210153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).