3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide

C20H18BrNO2 — CID 24212779

IUPAC3-[5-(4-bromophenyl)furan-2-yl]-N-(4-methylphenyl)propanamide
SMILESCC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChIInChI=1S/C20H18BrNO2/c1-14-2-8-17(9-3-14)22-20(23)13-11-18-10-12-19(24-18)15-4-6-16(21)7-5-15/h2-10,12H,11,13H2,1H3,(H,22,23)
InChIKeyFXUXDIQSAOFDMF-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.80
Rot. Bonds5

About 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide

3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide (PubChem CID 24212779) has the molecular formula C20H18BrNO2 and a molecular weight of 384.30 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)furan-2-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide
PubChem CID24212779
Molecular FormulaC20H18BrNO2
Molecular Weight384.30 g/mol
Exact Mass383.05
IUPAC Name3-[5-(4-bromophenyl)furan-2-yl]-N-(4-methylphenyl)propanamide
SMILESCC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChIInChI=1S/C20H18BrNO2/c1-14-2-8-17(9-3-14)22-20(23)13-11-18-10-12-19(24-18)15-4-6-16(21)7-5-15/h2-10,12H,11,13H2,1H3,(H,22,23)
InChIKeyFXUXDIQSAOFDMF-UHFFFAOYSA-N
XLogP4.80
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity400

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide (CID 24212779) is 3-[5-(4-bromophenyl)furan-2-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide is CC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br.
What is the InChIKey of 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide?
The InChIKey is FXUXDIQSAOFDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-14-2-8-17(9-3-14)22-20(23)13-11-18-10-12-19(24-18)15-4-6-16(21)7-5-15/h2-10,12H,11,13H2,1H3,(H,22,23).
What are the key properties of 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide?
3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide has a molecular weight of 384.30 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-(4-Bromophenyl)-2-furyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 24212779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).