5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C17H18BrNO5 — CID 27164512

IUPAC5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Br)ccc2O)cc(OC)c1OC
InChIInChI=1S/C17H18BrNO5/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-19-17(21)12-8-11(18)4-5-13(12)20/h4-8,20H,9H2,1-3H3,(H,19,21)
InChIKeyKPBPFAKHIQUUBP-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.11
Rot. Bonds6

About 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 27164512) has the molecular formula C17H18BrNO5 and a molecular weight of 396.24 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID27164512
Molecular FormulaC17H18BrNO5
Molecular Weight396.24 g/mol
Exact Mass395.04
IUPAC Name5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Br)ccc2O)cc(OC)c1OC
InChIInChI=1S/C17H18BrNO5/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-19-17(21)12-8-11(18)4-5-13(12)20/h4-8,20H,9H2,1-3H3,(H,19,21)
InChIKeyKPBPFAKHIQUUBP-UHFFFAOYSA-N
XLogP3.11
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483412
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798078
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27893473
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 27164512) is 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cc(Br)ccc2O)cc(OC)c1OC.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is KPBPFAKHIQUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-19-17(21)12-8-11(18)4-5-13(12)20/h4-8,20H,9H2,1-3H3,(H,19,21).
What are the key properties of 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 396.24 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 27164512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).