2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide

C15H22BrNO3 — CID 78932283

IUPAC2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(Br)cc1[C@H](C)O
InChIInChI=1S/C15H22BrNO3/c1-5-15(3,4)17-14(19)9-20-13-7-6-11(16)8-12(13)10(2)18/h6-8,10,18H,5,9H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyBMTWXBDZTCPYJL-JTQLQIEISA-N
MW344.25 g/mol
LogP3.19
Rot. Bonds6

About 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide

2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 78932283) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
PubChem CID78932283
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(Br)cc1[C@H](C)O
InChIInChI=1S/C15H22BrNO3/c1-5-15(3,4)17-14(19)9-20-13-7-6-11(16)8-12(13)10(2)18/h6-8,10,18H,5,9H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyBMTWXBDZTCPYJL-JTQLQIEISA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide
CID 102948305
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63366201
5-bromo-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910923
methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate
CID 63365900
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylacetamide
CID 55068634
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002849
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002921
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide (CID 78932283) is 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1ccc(Br)cc1[C@H](C)O.
What is the InChIKey of 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is BMTWXBDZTCPYJL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-5-15(3,4)17-14(19)9-20-13-7-6-11(16)8-12(13)10(2)18/h6-8,10,18H,5,9H2,1-4H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide?
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 344.25 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 78932283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).