N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide

C19H22BrNO3 — CID 5055324

IUPACN-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1cc(Br)c(C(C)NC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C19H22BrNO3/c1-4-23-17-11-15(16(20)12-18(17)24-5-2)13(3)21-19(22)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyXLTYOMMAHMSUKN-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.74
Rot. Bonds7

About N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide

N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide (PubChem CID 5055324) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide
PubChem CID5055324
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC NameN-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1cc(Br)c(C(C)NC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C19H22BrNO3/c1-4-23-17-11-15(16(20)12-18(17)24-5-2)13(3)21-19(22)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyXLTYOMMAHMSUKN-UHFFFAOYSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide?
The IUPAC name of N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide (CID 5055324) is N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide is CCOc1cc(Br)c(C(C)NC(=O)c2ccccc2)cc1OCC.
What is the InChIKey of N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide?
The InChIKey is XLTYOMMAHMSUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-23-17-11-15(16(20)12-18(17)24-5-2)13(3)21-19(22)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide?
N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide has a molecular weight of 392.29 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 5055324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).