N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide

C12H14BrNO3 — CID 47439309

IUPACN-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide
SMILESC=C(Br)CNC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C12H14BrNO3/c1-8(13)7-14-12(15)10-6-9(16-2)4-5-11(10)17-3/h4-6H,1,7H2,2-3H3,(H,14,15)
InChIKeyHTPIYCXLZLQVRN-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.34
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide

N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide (PubChem CID 47439309) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide
PubChem CID47439309
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC NameN-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide
SMILESC=C(Br)CNC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C12H14BrNO3/c1-8(13)7-14-12(15)10-6-9(16-2)4-5-11(10)17-3/h4-6H,1,7H2,2-3H3,(H,14,15)
InChIKeyHTPIYCXLZLQVRN-UHFFFAOYSA-N
XLogP2.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
CID 115701620
3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368930
N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide
CID 113465196
2,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676570
4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 81063117
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 115614887
2-[(2,5-dimethoxybenzoyl)amino]butanoic acid
CID 43387399

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide (CID 47439309) is N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide is C=C(Br)CNC(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide?
The InChIKey is HTPIYCXLZLQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-8(13)7-14-12(15)10-6-9(16-2)4-5-11(10)17-3/h4-6H,1,7H2,2-3H3,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide?
N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide has a molecular weight of 300.15 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 47439309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).