3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide

C18H19BrN2O3 — CID 51161234

IUPAC3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCOc1ccccc1)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-21(10-11-24-16-8-3-2-4-9-16)17(22)13-20-18(23)14-6-5-7-15(19)12-14/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyFWOZIIIMQFMUDO-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.72
Rot. Bonds7

About 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide

3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide (PubChem CID 51161234) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
PubChem CID51161234
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCOc1ccccc1)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-21(10-11-24-16-8-3-2-4-9-16)17(22)13-20-18(23)14-6-5-7-15(19)12-14/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyFWOZIIIMQFMUDO-UHFFFAOYSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
CID 52599948
3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
CID 38580004
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119658376
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135783247
2-methyl-N-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 51241984
3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18117344

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide (CID 51161234) is 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide is CN(CCOc1ccccc1)C(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is FWOZIIIMQFMUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-21(10-11-24-16-8-3-2-4-9-16)17(22)13-20-18(23)14-6-5-7-15(19)12-14/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51161234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).