4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide

C12H13BrClNO3 — CID 115636723

IUPAC4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide
SMILESC=C(Cl)CNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C12H13BrClNO3/c1-7(14)6-15-12(16)8-4-9(17-2)11(13)10(5-8)18-3/h4-5H,1,6H2,2-3H3,(H,15,16)
InChIKeyLLYVFOILXPAPRM-UHFFFAOYSA-N
MW334.60 g/mol
LogP2.95
Rot. Bonds5

About 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide

4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide (PubChem CID 115636723) has the molecular formula C12H13BrClNO3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide
PubChem CID115636723
Molecular FormulaC12H13BrClNO3
Molecular Weight334.60 g/mol
Exact Mass332.98
IUPAC Name4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide
SMILESC=C(Cl)CNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C12H13BrClNO3/c1-7(14)6-15-12(16)8-4-9(17-2)11(13)10(5-8)18-3/h4-5H,1,6H2,2-3H3,(H,15,16)
InChIKeyLLYVFOILXPAPRM-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
CID 103772465
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55655345
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
CID 115700732

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide (CID 115636723) is 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide is C=C(Cl)CNC(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide?
The InChIKey is LLYVFOILXPAPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO3/c1-7(14)6-15-12(16)8-4-9(17-2)11(13)10(5-8)18-3/h4-5H,1,6H2,2-3H3,(H,15,16).
What are the key properties of 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide?
4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide has a molecular weight of 334.60 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 115636723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).