3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide

C24H23BrN2O3 — CID 17221937

IUPAC3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1)c1ccccc1
InChIInChI=1S/C24H23BrN2O3/c1-3-27(20-10-5-4-6-11-20)24(29)18-8-7-9-19(15-18)26-23(28)16-30-21-12-13-22(25)17(2)14-21/h4-15H,3,16H2,1-2H3,(H,26,28)
InChIKeyVJJUSSAZOFFJMJ-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.44
Rot. Bonds7

About 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide

3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 17221937) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID17221937
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1)c1ccccc1
InChIInChI=1S/C24H23BrN2O3/c1-3-27(20-10-5-4-6-11-20)24(29)18-8-7-9-19(15-18)26-23(28)16-30-21-12-13-22(25)17(2)14-21/h4-15H,3,16H2,1-2H3,(H,26,28)
InChIKeyVJJUSSAZOFFJMJ-UHFFFAOYSA-N
XLogP5.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide 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

3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17222016
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221948
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221916
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041
2-ethoxyethyl 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]benzoate
CID 19171918
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54820208
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17227717
N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204545

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 17221937) is 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is VJJUSSAZOFFJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-3-27(20-10-5-4-6-11-20)24(29)18-8-7-9-19(15-18)26-23(28)16-30-21-12-13-22(25)17(2)14-21/h4-15H,3,16H2,1-2H3,(H,26,28).
What are the key properties of 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 467.36 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).