N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide

C11H13BrN2O3 — CID 47210346

IUPACN-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O3/c1-14(6-10(13)15)11(16)7-3-4-9(17-2)8(12)5-7/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyYFXROSJSTDHQSO-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.01
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide

N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide (PubChem CID 47210346) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
PubChem CID47210346
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC NameN-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O3/c1-14(6-10(13)15)11(16)7-3-4-9(17-2)8(12)5-7/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyYFXROSJSTDHQSO-UHFFFAOYSA-N
XLogP1.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
CID 115272631
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 60978582
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
CID 107951195

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide (CID 47210346) is N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC(N)=O)cc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide?
The InChIKey is YFXROSJSTDHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-14(6-10(13)15)11(16)7-3-4-9(17-2)8(12)5-7/h3-5H,6H2,1-2H3,(H2,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide?
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide has a molecular weight of 301.14 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 47210346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).