(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide

C11H14BrNO2 — CID 40771290

IUPAC(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
SMILESCc1cc(Br)cc(C)c1O[C@@H](C)C(N)=O
InChIInChI=1S/C11H14BrNO2/c1-6-4-9(12)5-7(2)10(6)15-8(3)11(13)14/h4-5,8H,1-3H3,(H2,13,14)/t8-/m0/s1
InChIKeyNRTHRQQOHNHFHI-QMMMGPOBSA-N
MW272.14 g/mol
LogP2.32
Rot. Bonds3

About (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide

(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide (PubChem CID 40771290) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
PubChem CID40771290
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
SMILESCc1cc(Br)cc(C)c1O[C@@H](C)C(N)=O
InChIInChI=1S/C11H14BrNO2/c1-6-4-9(12)5-7(2)10(6)15-8(3)11(13)14/h4-5,8H,1-3H3,(H2,13,14)/t8-/m0/s1
InChIKeyNRTHRQQOHNHFHI-QMMMGPOBSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79842569
5-bromo-2-(1-methoxy-1-oxopropan-2-yl)oxy-3-methylbenzoic acid
CID 112620920
2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
CID 79842993
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 54930392
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanoic acid
CID 115962678
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 79842990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide (CID 40771290) is (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide is Cc1cc(Br)cc(C)c1O[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The InChIKey is NRTHRQQOHNHFHI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-6-4-9(12)5-7(2)10(6)15-8(3)11(13)14/h4-5,8H,1-3H3,(H2,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide has a molecular weight of 272.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 40771290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).