2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide

C18H20BrNO4 — CID 19171553

IUPAC2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
SMILESCCc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1
InChIInChI=1S/C18H20BrNO4/c1-5-11-6-8-12(9-7-11)20-18(21)13-10-14(22-2)16(23-3)17(24-4)15(13)19/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyZEWRJTCVIGMCTJ-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.29
Rot. Bonds6

About 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide

2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 19171553) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID19171553
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
SMILESCCc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1
InChIInChI=1S/C18H20BrNO4/c1-5-11-6-8-12(9-7-11)20-18(21)13-10-14(22-2)16(23-3)17(24-4)15(13)19/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyZEWRJTCVIGMCTJ-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
CID 19171527
hexyl 4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]benzoate
CID 2789416
2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171551
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 53267535
3-bromo-N-(4-ethylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 5178991
N-(4-acetylphenyl)-5-ethyl-2-methoxybenzamide
CID 110762005
N-(4-ethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60716192
ethyl 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108763545
ethyl 5-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761505
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide (CID 19171553) is 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide is CCc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is ZEWRJTCVIGMCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-5-11-6-8-12(9-7-11)20-18(21)13-10-14(22-2)16(23-3)17(24-4)15(13)19/h6-10H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide?
2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 394.27 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 19171553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).