4-bromo-3,5-dimethoxy-N-methylbenzamide

C10H12BrNO3 — CID 47122657

IUPAC4-bromo-3,5-dimethoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C10H12BrNO3/c1-12-10(13)6-4-7(14-2)9(11)8(5-6)15-3/h4-5H,1-3H3,(H,12,13)
InChIKeyPMJLNFKYLUDMPB-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.83
Rot. Bonds3

About 4-bromo-3,5-dimethoxy-N-methylbenzamide

4-bromo-3,5-dimethoxy-N-methylbenzamide (PubChem CID 47122657) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-methylbenzamide
PubChem CID47122657
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name4-bromo-3,5-dimethoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C10H12BrNO3/c1-12-10(13)6-4-7(14-2)9(11)8(5-6)15-3/h4-5H,1-3H3,(H,12,13)
InChIKeyPMJLNFKYLUDMPB-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 37007263
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide
CID 115636723
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
(2S,3R)-2-[(4-bromo-3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 104964557
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
CID 121012209
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-methylbenzamide (CID 47122657) is 4-bromo-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-methylbenzamide is CNC(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is PMJLNFKYLUDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-12-10(13)6-4-7(14-2)9(11)8(5-6)15-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of 4-bromo-3,5-dimethoxy-N-methylbenzamide?
4-bromo-3,5-dimethoxy-N-methylbenzamide has a molecular weight of 274.11 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 47122657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).