4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide

C18H19BrN2O3 — CID 27811339

IUPAC4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)20-16-7-3-14(4-8-16)18(23)21(2)11-12-24-17-9-5-15(19)6-10-17/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyZRCKBJAHUAFJJH-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.56
Rot. Bonds6

About 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide

4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide (PubChem CID 27811339) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
PubChem CID27811339
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)20-16-7-3-14(4-8-16)18(23)21(2)11-12-24-17-9-5-15(19)6-10-17/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyZRCKBJAHUAFJJH-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 24514948
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 24514957
methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
CID 110459527
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
3-[[2-(4-bromophenoxy)ethyl-methylcarbamoyl]amino]propanoic acid
CID 122019494
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide (CID 27811339) is 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide is CC(=O)Nc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide?
The InChIKey is ZRCKBJAHUAFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-13(22)20-16-7-3-14(4-8-16)18(23)21(2)11-12-24-17-9-5-15(19)6-10-17/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide?
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide has a molecular weight of 391.27 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 27811339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).