N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide

C24H23BrN2O3 — CID 17233521

IUPACN-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C24H23BrN2O3/c1-17-15-19(25)8-13-22(17)30-16-24(29)27-21-11-9-20(10-12-21)26-23(28)14-7-18-5-3-2-4-6-18/h2-6,8-13,15H,7,14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyIQUBFXDXJZQBLL-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.35
Rot. Bonds8

About N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 17233521) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID17233521
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC NameN-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C24H23BrN2O3/c1-17-15-19(25)8-13-22(17)30-16-24(29)27-21-11-9-20(10-12-21)26-23(28)14-7-18-5-3-2-4-6-18/h2-6,8-13,15H,7,14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyIQUBFXDXJZQBLL-UHFFFAOYSA-N
XLogP5.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide 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-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780793
N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
CID 28638819
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide (CID 17233521) is N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide is Cc1cc(Br)ccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is IQUBFXDXJZQBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-17-15-19(25)8-13-22(17)30-16-24(29)27-21-11-9-20(10-12-21)26-23(28)14-7-18-5-3-2-4-6-18/h2-6,8-13,15H,7,14,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 467.36 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 17233521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).