3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride

C12H18BrClN2O2 — CID 119724763

IUPAC3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCOc1cc(NC(=O)C(C)(C)CN)ccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-12(2,7-14)11(16)15-8-4-5-9(13)10(6-8)17-3;/h4-6H,7,14H2,1-3H3,(H,15,16);1H
InChIKeyUHCIYCBECJUFIH-UHFFFAOYSA-N
MW337.65 g/mol
LogP2.80
Rot. Bonds4

About 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride

3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119724763) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119724763
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC Name3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCOc1cc(NC(=O)C(C)(C)CN)ccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-12(2,7-14)11(16)15-8-4-5-9(13)10(6-8)17-3;/h4-6H,7,14H2,1-3H3,(H,15,16);1H
InChIKeyUHCIYCBECJUFIH-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide
CID 82868301
N-(4-bromo-3-methoxyphenyl)-2-carbamothioyl-2-methylbutanamide
CID 82867900
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide
CID 82867638
2-(4-bromo-3-methoxyanilino)acetic acid
CID 82868181
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
CID 79813242
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
CID 82867959

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride (CID 119724763) is 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride is COc1cc(NC(=O)C(C)(C)CN)ccc1Br.Cl.
What is the InChIKey of 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is UHCIYCBECJUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-12(2,7-14)11(16)15-8-4-5-9(13)10(6-8)17-3;/h4-6H,7,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119724763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).