N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

C18H18BrNO3 — CID 31841522

IUPACN-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C18H18BrNO3/c1-4-7-12-10-13(11-16(22-2)17(12)23-3)18(21)20-15-9-6-5-8-14(15)19/h4-6,8-11H,1,7H2,2-3H3,(H,20,21)
InChIKeyUIFNZUOAGLZNID-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.45
Rot. Bonds6

About N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 31841522) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID31841522
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC NameN-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C18H18BrNO3/c1-4-7-12-10-13(11-16(22-2)17(12)23-3)18(21)20-15-9-6-5-8-14(15)19/h4-6,8-11H,1,7H2,2-3H3,(H,20,21)
InChIKeyUIFNZUOAGLZNID-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55677135
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27256082
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide
CID 43034625

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 31841522) is N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccccc2Br)cc(OC)c1OC.
What is the InChIKey of N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is UIFNZUOAGLZNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-4-7-12-10-13(11-16(22-2)17(12)23-3)18(21)20-15-9-6-5-8-14(15)19/h4-6,8-11H,1,7H2,2-3H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 376.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 31841522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).