2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide

C17H18Br2N2O2 — CID 112797136

IUPAC2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide
SMILESCOc1ccc(C(C)NCC(=O)Nc2ccccc2Br)cc1Br
InChIInChI=1S/C17H18Br2N2O2/c1-11(12-7-8-16(23-2)14(19)9-12)20-10-17(22)21-15-6-4-3-5-13(15)18/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyHRQLGEGZRYVKAC-UHFFFAOYSA-N
MW442.15 g/mol
LogP4.51
Rot. Bonds6

About 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide (PubChem CID 112797136) has the molecular formula C17H18Br2N2O2 and a molecular weight of 442.15 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide
PubChem CID112797136
Molecular FormulaC17H18Br2N2O2
Molecular Weight442.15 g/mol
Exact Mass439.97
IUPAC Name2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide
SMILESCOc1ccc(C(C)NCC(=O)Nc2ccccc2Br)cc1Br
InChIInChI=1S/C17H18Br2N2O2/c1-11(12-7-8-16(23-2)14(19)9-12)20-10-17(22)21-15-6-4-3-5-13(15)18/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyHRQLGEGZRYVKAC-UHFFFAOYSA-N
XLogP4.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.15
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide
CID 112797150
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3,5-dimethylphenyl)acetamide
CID 112797123
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 84897745
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 9001008
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9001033
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9001281
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 112797144
ethyl (2S)-2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-(3-fluoro-4-methoxyphenyl)acetate
CID 99786695
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9001809
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 9001571
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide (CID 112797136) is 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide is COc1ccc(C(C)NCC(=O)Nc2ccccc2Br)cc1Br.
What is the InChIKey of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide?
The InChIKey is HRQLGEGZRYVKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O2/c1-11(12-7-8-16(23-2)14(19)9-12)20-10-17(22)21-15-6-4-3-5-13(15)18/h3-9,11,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide?
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide has a molecular weight of 442.15 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 112797136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).