3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide

C12H17BrN2O2 — CID 82867396

IUPAC3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1cc(Br)cc(NC(=O)C(C)(C)CN)c1
InChIInChI=1S/C12H17BrN2O2/c1-12(2,7-14)11(16)15-9-4-8(13)5-10(6-9)17-3/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyXMMDOFHTKLFWEE-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.38
Rot. Bonds4

About 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide

3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 82867396) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
PubChem CID82867396
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1cc(Br)cc(NC(=O)C(C)(C)CN)c1
InChIInChI=1S/C12H17BrN2O2/c1-12(2,7-14)11(16)15-9-4-8(13)5-10(6-9)17-3/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyXMMDOFHTKLFWEE-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-5-methoxyanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82859803
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 2764507
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
CID 82868226
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 82858703
N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide
CID 82860744
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
5-[(3-amino-2,2-dimethylpropanoyl)amino]benzene-1,3-dicarboxylic acid
CID 115426556

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide (CID 82867396) is 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide is COc1cc(Br)cc(NC(=O)C(C)(C)CN)c1.
What is the InChIKey of 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is XMMDOFHTKLFWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-12(2,7-14)11(16)15-9-4-8(13)5-10(6-9)17-3/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide?
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 301.18 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 82867396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).