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

C18H20BrNO4 — CID 19171551

IUPAC2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)cc(C)c2)c(Br)c(OC)c1OC
InChIInChI=1S/C18H20BrNO4/c1-10-6-11(2)8-12(7-10)20-18(21)13-9-14(22-3)16(23-4)17(24-5)15(13)19/h6-9H,1-5H3,(H,20,21)
InChIKeyFWOWHXQLQPZOIC-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.34
Rot. Bonds5

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

2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 19171551) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID19171551
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)cc(C)c2)c(Br)c(OC)c1OC
InChIInChI=1S/C18H20BrNO4/c1-10-6-11(2)8-12(7-10)20-18(21)13-9-14(22-3)16(23-4)17(24-5)15(13)19/h6-9H,1-5H3,(H,20,21)
InChIKeyFWOWHXQLQPZOIC-UHFFFAOYSA-N
XLogP4.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.34
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
2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171553
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
CID 1190293
2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 53267535
2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1120126
4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763257
hexyl 4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]benzoate
CID 2789416
ethyl 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108763545
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 19211321
ethyl 5-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761505
2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide
CID 127217560

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide (CID 19171551) is 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(C)cc(C)c2)c(Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is FWOWHXQLQPZOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-10-6-11(2)8-12(7-10)20-18(21)13-9-14(22-3)16(23-4)17(24-5)15(13)19/h6-9H,1-5H3,(H,20,21).
What are the key properties of 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide?
2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 394.27 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 19171551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).