3-bromo-N,2,5-trimethoxybenzamide

C10H12BrNO4 — CID 60713137

IUPAC3-bromo-N,2,5-trimethoxybenzamide
SMILESCONC(=O)c1cc(OC)cc(Br)c1OC
InChIInChI=1S/C10H12BrNO4/c1-14-6-4-7(10(13)12-16-3)9(15-2)8(11)5-6/h4-5H,1-3H3,(H,12,13)
InChIKeyRJYIJKCOHQOECU-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.76
Rot. Bonds4

About 3-bromo-N,2,5-trimethoxybenzamide

3-bromo-N,2,5-trimethoxybenzamide (PubChem CID 60713137) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 3-bromo-N,2,5-trimethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N,2,5-trimethoxybenzamide
PubChem CID60713137
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name3-bromo-N,2,5-trimethoxybenzamide
SMILESCONC(=O)c1cc(OC)cc(Br)c1OC
InChIInChI=1S/C10H12BrNO4/c1-14-6-4-7(10(13)12-16-3)9(15-2)8(11)5-6/h4-5H,1-3H3,(H,12,13)
InChIKeyRJYIJKCOHQOECU-UHFFFAOYSA-N
XLogP1.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-N,2-dimethoxybenzamide
CID 164892762
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethoxybenzamide
CID 107844964
3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 24625138
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethoxybenzamide
CID 106179978
ethyl 2-[(3-bromo-2,5-dimethoxybenzoyl)amino]acetate
CID 47257365
3-bromo-N-butan-2-yl-2,5-dimethoxybenzamide
CID 24638571
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethoxybenzamide
CID 79027472
3-bromo-N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843728
(2S)-2-[(3-bromo-2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137053
3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
CID 24640379
3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide
CID 17493489
3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
CID 80717764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2,5-trimethoxybenzamide?
The IUPAC name of 3-bromo-N,2,5-trimethoxybenzamide (CID 60713137) is 3-bromo-N,2,5-trimethoxybenzamide.
What is the SMILES notation for 3-bromo-N,2,5-trimethoxybenzamide?
The canonical SMILES for 3-bromo-N,2,5-trimethoxybenzamide is CONC(=O)c1cc(OC)cc(Br)c1OC.
What is the InChIKey of 3-bromo-N,2,5-trimethoxybenzamide?
The InChIKey is RJYIJKCOHQOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-14-6-4-7(10(13)12-16-3)9(15-2)8(11)5-6/h4-5H,1-3H3,(H,12,13).
What are the key properties of 3-bromo-N,2,5-trimethoxybenzamide?
3-bromo-N,2,5-trimethoxybenzamide has a molecular weight of 290.11 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2,5-trimethoxybenzamide is sourced from PubChem (CID 60713137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).