2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide

C12H16BrNO3 — CID 7028135

IUPAC2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO3/c1-9(7-16-2)14-12(15)8-17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyMDKGSRAQMSTBRQ-SECBINFHSA-N
MW302.17 g/mol
LogP1.98
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 7028135) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID7028135
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO3/c1-9(7-16-2)14-12(15)8-17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyMDKGSRAQMSTBRQ-SECBINFHSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-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-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495334
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7795155
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 7028135) is 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is MDKGSRAQMSTBRQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-9(7-16-2)14-12(15)8-17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 302.17 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 7028135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).