2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide

C17H18BrNO5 — CID 19171527

IUPAC2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1
InChIInChI=1S/C17H18BrNO5/c1-21-11-7-5-10(6-8-11)19-17(20)12-9-13(22-2)15(23-3)16(24-4)14(12)18/h5-9H,1-4H3,(H,19,20)
InChIKeyYCOJFMXXKVKUQK-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.74
Rot. Bonds6

About 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide

2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide (PubChem CID 19171527) has the molecular formula C17H18BrNO5 and a molecular weight of 396.24 g/mol. Its IUPAC name is 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
PubChem CID19171527
Molecular FormulaC17H18BrNO5
Molecular Weight396.24 g/mol
Exact Mass395.04
IUPAC Name2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1
InChIInChI=1S/C17H18BrNO5/c1-21-11-7-5-10(6-8-11)19-17(20)12-9-13(22-2)15(23-3)16(24-4)14(12)18/h5-9H,1-4H3,(H,19,20)
InChIKeyYCOJFMXXKVKUQK-UHFFFAOYSA-N
XLogP3.74
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171553
2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171551
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
hexyl 4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]benzoate
CID 2789416
2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 53267535
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide
CID 17493489
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
CID 1190293
2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1120126
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1186583

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide (CID 19171527) is 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1.
What is the InChIKey of 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide?
The InChIKey is YCOJFMXXKVKUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5/c1-21-11-7-5-10(6-8-11)19-17(20)12-9-13(22-2)15(23-3)16(24-4)14(12)18/h5-9H,1-4H3,(H,19,20).
What are the key properties of 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide?
2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide has a molecular weight of 396.24 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 19171527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).