N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide

C19H21BrN2O3 — CID 3059647

IUPACN-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide
SMILESCN(CCO)CC(=O)N(C)c1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H21BrN2O3/c1-21(10-11-23)13-18(24)22(2)17-9-8-15(20)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3
InChIKeyRMRDECBAKIOOGV-UHFFFAOYSA-N
MW405.29 g/mol
LogP2.57
Rot. Bonds7

About N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide

N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide (PubChem CID 3059647) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide
PubChem CID3059647
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide
SMILESCN(CCO)CC(=O)N(C)c1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H21BrN2O3/c1-21(10-11-23)13-18(24)22(2)17-9-8-15(20)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3
InChIKeyRMRDECBAKIOOGV-UHFFFAOYSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide (CID 3059647) is N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide is CN(CCO)CC(=O)N(C)c1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide?
The InChIKey is RMRDECBAKIOOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-21(10-11-23)13-18(24)22(2)17-9-8-15(20)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3.
What are the key properties of N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide?
N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide has a molecular weight of 405.29 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 3059647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).