N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide

C12H16BrNO2 — CID 15835966

IUPACN-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)C)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(2)12(15)14(3)11-6-5-9(16-4)7-10(11)13/h5-8H,1-4H3
InChIKeyYERUIPFBCSNFBK-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.08
Rot. Bonds3

About N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide

N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide (PubChem CID 15835966) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide
PubChem CID15835966
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)C)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(2)12(15)14(3)11-6-5-9(16-4)7-10(11)13/h5-8H,1-4H3
InChIKeyYERUIPFBCSNFBK-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethoxy-N-methylanilino)-2-methyl-3-oxopropanoic acid
CID 115164190
2-bromo-N,N-bis(2-bromo-4-methoxyphenyl)-4-methoxyaniline
CID 13050087
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 47071365
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide
CID 141243287
3-[2-(dimethylamino)-5-methoxyphenyl]-2-methylpropanoic acid
CID 117346912
2-[1-(2-bromo-4-methoxyphenyl)ethyl-methylamino]acetic acid
CID 122035412
methyl 2-[(2-bromo-5-methoxyphenyl)methylamino]propanoate
CID 65323693
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 2530771
3-[[(1S)-1-(2-bromo-4-methoxyphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 97336153
5-amino-1-(2-bromo-5-methoxyphenyl)-4-methylpentan-2-one
CID 116596709
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 43404116

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide (CID 15835966) is N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide is COc1ccc(N(C)C(=O)C(C)C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide?
The InChIKey is YERUIPFBCSNFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)12(15)14(3)11-6-5-9(16-4)7-10(11)13/h5-8H,1-4H3.
What are the key properties of N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide?
N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide has a molecular weight of 286.17 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 15835966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).