2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide

C13H18BrClN2O2 — CID 2226796

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O2/c1-17(2)7-3-6-16-13(18)9-19-12-5-4-10(14)8-11(12)15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyNHVPPKKGBHLDNA-UHFFFAOYSA-N
MW349.66 g/mol
LogP2.55
Rot. Bonds7

About 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 2226796) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID2226796
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O2/c1-17(2)7-3-6-16-13(18)9-19-12-5-4-10(14)8-11(12)15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyNHVPPKKGBHLDNA-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 1226778
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
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-cyclohexylacetamide
CID 885937
2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
CID 2230655
N-allyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2234817
2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide
CID 2906779
[3-(4-Bromo-2-chlorophenoxy)propyl](2-methoxyethyl)amine oxalate
CID 2922897
N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2970596
2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide
CID 3882773
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 2213840

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide (CID 2226796) is 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is NHVPPKKGBHLDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O2/c1-17(2)7-3-6-16-13(18)9-19-12-5-4-10(14)8-11(12)15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 349.66 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 2226796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).