N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide

C12H16BrNO3 — CID 117486520

IUPACN-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide
SMILESCOc1ccc(Br)c(C(C)(C)O)c1NC(C)=O
InChIInChI=1S/C12H16BrNO3/c1-7(15)14-11-9(17-4)6-5-8(13)10(11)12(2,3)16/h5-6,16H,1-4H3,(H,14,15)
InChIKeyAVQUAVMVQKAZHZ-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.64
Rot. Bonds3

About N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide

N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide (PubChem CID 117486520) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide
PubChem CID117486520
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameN-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide
SMILESCOc1ccc(Br)c(C(C)(C)O)c1NC(C)=O
InChIInChI=1S/C12H16BrNO3/c1-7(15)14-11-9(17-4)6-5-8(13)10(11)12(2,3)16/h5-6,16H,1-4H3,(H,14,15)
InChIKeyAVQUAVMVQKAZHZ-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-6-methoxy-2-(3-oxopropyl)phenyl]acetamide
CID 117483193
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
2-(6-bromo-2-fluoro-3-methoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171366026
tert-butyl N-(6-bromo-3-methoxy-2-methylphenyl)carbamate
CID 156869532
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147
N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide
CID 166071388
N-(2-formyl-6-methoxy-3-methylphenyl)acetamide
CID 84779440
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
3-(2-acetamido-6-chloro-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117482668
5-acetamido-6-methoxynaphthalene-2-carboxylic acid
CID 167738433
N-[2-(1-aminoethyl)-6-methoxyphenyl]acetamide
CID 117297795
N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 156877036

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide?
The IUPAC name of N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide (CID 117486520) is N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide is COc1ccc(Br)c(C(C)(C)O)c1NC(C)=O.
What is the InChIKey of N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide?
The InChIKey is AVQUAVMVQKAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-7(15)14-11-9(17-4)6-5-8(13)10(11)12(2,3)16/h5-6,16H,1-4H3,(H,14,15).
What are the key properties of N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide?
N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide has a molecular weight of 302.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide is sourced from PubChem (CID 117486520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).