N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide

C18H20BrNO3 — CID 1043062

IUPACN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1cc(Br)c(CCNC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-22-16-11-14(15(19)12-17(16)23-2)8-9-20-18(21)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,20,21)
InChIKeyZVAAFEYKSPWRAB-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.37
Rot. Bonds7

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 1043062) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
PubChem CID1043062
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1cc(Br)c(CCNC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-22-16-11-14(15(19)12-17(16)23-2)8-9-20-18(21)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,20,21)
InChIKeyZVAAFEYKSPWRAB-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide (CID 1043062) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide is COc1cc(Br)c(CCNC(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is ZVAAFEYKSPWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-22-16-11-14(15(19)12-17(16)23-2)8-9-20-18(21)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide?
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 378.27 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 1043062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).