N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide

C18H19BrN2O3 — CID 24544434

IUPACN-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H19BrN2O3/c1-21(12-14-10-15(19)8-9-16(14)24-2)17(22)11-20-18(23)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyIHRXIULJKQZJRJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide

N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 24544434) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID24544434
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H19BrN2O3/c1-21(12-14-10-15(19)8-9-16(14)24-2)17(22)11-20-18(23)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyIHRXIULJKQZJRJ-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 17438069
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 29416457
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60954211
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 9166749

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 24544434) is N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide is COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is IHRXIULJKQZJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-21(12-14-10-15(19)8-9-16(14)24-2)17(22)11-20-18(23)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24544434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).