3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide

C13H16BrNO3 — CID 15943188

IUPAC3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C13H16BrNO3/c1-3-6-15-13(16)10-4-5-12(11(14)9-10)18-8-7-17-2/h3-5,9H,1,6-8H2,2H3,(H,15,16)
InChIKeyQHDGINFVMNESSN-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.39
Rot. Bonds7

About 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide

3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide (PubChem CID 15943188) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
PubChem CID15943188
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C13H16BrNO3/c1-3-6-15-13(16)10-4-5-12(11(14)9-10)18-8-7-17-2/h3-5,9H,1,6-8H2,2H3,(H,15,16)
InChIKeyQHDGINFVMNESSN-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(2-phenoxyethoxy)-N-prop-2-enylbenzamide
CID 54793549
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
N-[bis(prop-2-enyl)carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356936
3-bromo-N-[4-[[4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]phenyl]methyl]phenyl]-4-(2-methoxyethoxy)benzamide
CID 17357137
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356384
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17073804
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
3-bromo-N-[2-(diethylamino)ethyl]-4-prop-2-enoxybenzamide
CID 17218396
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284
3-bromo-4-(2-methoxyethoxy)-N-[4-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 17251662
3-bromo-4-(2-methylpropoxy)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17351678

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide?
The IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide (CID 15943188) is 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide?
The canonical SMILES for 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(OCCOC)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide?
The InChIKey is QHDGINFVMNESSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-3-6-15-13(16)10-4-5-12(11(14)9-10)18-8-7-17-2/h3-5,9H,1,6-8H2,2H3,(H,15,16).
What are the key properties of 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide?
3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide has a molecular weight of 314.18 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide is sourced from PubChem (CID 15943188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).