N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride

C20H24BrClN2O4 — CID 3059648

IUPACN-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CN(CCO)CCO)c1ccc(Br)cc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C20H23BrN2O4.ClH/c1-22(19(26)14-23(9-11-24)10-12-25)18-8-7-16(21)13-17(18)20(27)15-5-3-2-4-6-15;/h2-8,13,24-25H,9-12,14H2,1H3;1H
InChIKeyUNUMNYNTRDNNBP-UHFFFAOYSA-N
MW471.78 g/mol
LogP2.35
Rot. Bonds9

About N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride

N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride (PubChem CID 3059648) has the molecular formula C20H24BrClN2O4 and a molecular weight of 471.78 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride
PubChem CID3059648
Molecular FormulaC20H24BrClN2O4
Molecular Weight471.78 g/mol
Exact Mass470.06
IUPAC NameN-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CN(CCO)CCO)c1ccc(Br)cc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C20H23BrN2O4.ClH/c1-22(19(26)14-23(9-11-24)10-12-25)18-8-7-16(21)13-17(18)20(27)15-5-3-2-4-6-15;/h2-8,13,24-25H,9-12,14H2,1H3;1H
InChIKeyUNUMNYNTRDNNBP-UHFFFAOYSA-N
XLogP2.35
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.78
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride (CID 3059648) is N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride is CN(C(=O)CN(CCO)CCO)c1ccc(Br)cc1C(=O)c1ccccc1.Cl.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride?
The InChIKey is UNUMNYNTRDNNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4.ClH/c1-22(19(26)14-23(9-11-24)10-12-25)18-8-7-16(21)13-17(18)20(27)15-5-3-2-4-6-15;/h2-8,13,24-25H,9-12,14H2,1H3;1H.
What are the key properties of N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride?
N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride has a molecular weight of 471.78 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-2-[bis(2-hydroxyethyl)amino]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 3059648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).