N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride

C12H18BrClN2O2 — CID 119682810

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(C)Cc1cc(Br)ccc1OC.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-14-7-12(16)15(2)8-9-6-10(13)4-5-11(9)17-3;/h4-6,14H,7-8H2,1-3H3;1H
InChIKeyDQWGYJWZCPKYSI-UHFFFAOYSA-N
MW337.65 g/mol
LogP2.06
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride (PubChem CID 119682810) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
PubChem CID119682810
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(C)Cc1cc(Br)ccc1OC.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-14-7-12(16)15(2)8-9-6-10(13)4-5-11(9)17-3;/h4-6,14H,7-8H2,1-3H3;1H
InChIKeyDQWGYJWZCPKYSI-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60954211
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 4789994
tert-butyl N-[3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 31152856
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride (CID 119682810) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride is CNCC(=O)N(C)Cc1cc(Br)ccc1OC.Cl.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride?
The InChIKey is DQWGYJWZCPKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-14-7-12(16)15(2)8-9-6-10(13)4-5-11(9)17-3;/h4-6,14H,7-8H2,1-3H3;1H.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119682810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).