2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide

C15H21BrN2O3 — CID 78812720

IUPAC2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3/c1-4-18(5-2)14(19)10-17(3)15(20)11-21-13-8-6-12(16)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyFQJCKBHPPUAMRM-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.15
Rot. Bonds7

About 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide

2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide (PubChem CID 78812720) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
PubChem CID78812720
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3/c1-4-18(5-2)14(19)10-17(3)15(20)11-21-13-8-6-12(16)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyFQJCKBHPPUAMRM-UHFFFAOYSA-N
XLogP2.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475634
2-[(2-dibenzofuran-2-yloxyacetyl)-methylamino]-N,N-diethylacetamide
CID 9229917
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
CID 39949555
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 61108210
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55861535
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 26266273
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62819651
2-(4-bromophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512644
N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 119657814

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide (CID 78812720) is 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide?
The InChIKey is FQJCKBHPPUAMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-4-18(5-2)14(19)10-17(3)15(20)11-21-13-8-6-12(16)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide?
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide has a molecular weight of 357.25 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 78812720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).