2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide

C18H19BrN2O3 — CID 60616164

IUPAC2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-21(2)18(23)12-24-16-8-6-15(7-9-16)20-17(22)11-13-4-3-5-14(19)10-13/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyQZEHJGRWUZSSQV-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.10
Rot. Bonds6

About 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide

2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide (PubChem CID 60616164) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
PubChem CID60616164
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-21(2)18(23)12-24-16-8-6-15(7-9-16)20-17(22)11-13-4-3-5-14(19)10-13/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyQZEHJGRWUZSSQV-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide
CID 141414751
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
CID 55590655
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,3-dimethylbutanamide
CID 32943486
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
[4-[[4-[[2-(3-bromophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930681
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide
CID 47043097

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide (CID 60616164) is 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide is CN(C)C(=O)COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is QZEHJGRWUZSSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-21(2)18(23)12-24-16-8-6-15(7-9-16)20-17(22)11-13-4-3-5-14(19)10-13/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide?
2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 60616164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).