2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

C18H17BrN2O3 — CID 26706709

IUPAC2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C18H17BrN2O3/c1-3-10-20-17(22)13-6-4-5-7-16(13)21-18(23)14-11-12(24-2)8-9-15(14)19/h3-9,11H,1,10H2,2H3,(H,20,22)(H,21,23)
InChIKeyRIIGNSFDRVBOSI-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.63
Rot. Bonds6

About 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (PubChem CID 26706709) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
PubChem CID26706709
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C18H17BrN2O3/c1-3-10-20-17(22)13-6-4-5-7-16(13)21-18(23)14-11-12(24-2)8-9-15(14)19/h3-9,11H,1,10H2,2H3,(H,20,22)(H,21,23)
InChIKeyRIIGNSFDRVBOSI-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide 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

2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896
2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
CID 103479738
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17073804
3-bromo-4-(2-methylpropoxy)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17351678
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (CID 26706709) is 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is C=CCNC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The InChIKey is RIIGNSFDRVBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-3-10-20-17(22)13-6-4-5-7-16(13)21-18(23)14-11-12(24-2)8-9-15(14)19/h3-9,11H,1,10H2,2H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide has a molecular weight of 389.25 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 26706709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).