N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide

C16H15BrClNO2 — CID 1312634

IUPACN-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNO2/c1-19(10-12-5-3-2-4-6-12)16(20)11-21-15-8-7-13(17)9-14(15)18/h2-9H,10-11H2,1H3
InChIKeyTZZVKYAKDKDTJZ-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.14
Rot. Bonds5

About N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide

N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide (PubChem CID 1312634) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide
PubChem CID1312634
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNO2/c1-19(10-12-5-3-2-4-6-12)16(20)11-21-15-8-7-13(17)9-14(15)18/h2-9H,10-11H2,1H3
InChIKeyTZZVKYAKDKDTJZ-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 1226778
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide
CID 885680
2-(4-Bromo-2-chlorophenoxy)-1-(pyrrolidin-1-yl)ethanone
CID 885808
2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
CID 2230655
N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2970596
N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide
CID 707247
N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide
CID 718175
N-benzyl-2-(2,5-dichlorophenoxy)-N-methylacetamide
CID 724283
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 2213840
N-(benzylcarbamoyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2083878

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide (CID 1312634) is N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide is CN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide?
The InChIKey is TZZVKYAKDKDTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-19(10-12-5-3-2-4-6-12)16(20)11-21-15-8-7-13(17)9-14(15)18/h2-9H,10-11H2,1H3.
What are the key properties of N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide?
N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide has a molecular weight of 368.66 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide is sourced from PubChem (CID 1312634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).