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

C25H25BrN2O3 — CID 17221948

IUPAC3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)c(Br)c1
InChIInChI=1S/C25H25BrN2O3/c1-3-18-13-14-23(22(26)15-18)31-17-24(29)27-20-10-8-9-19(16-20)25(30)28(4-2)21-11-6-5-7-12-21/h5-16H,3-4,17H2,1-2H3,(H,27,29)
InChIKeyUIOGJYLOXIQSLS-UHFFFAOYSA-N
MW481.39 g/mol
LogP5.70
Rot. Bonds8

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

3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 17221948) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID17221948
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC Name3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)c(Br)c1
InChIInChI=1S/C25H25BrN2O3/c1-3-18-13-14-23(22(26)15-18)31-17-24(29)27-20-10-8-9-19(16-20)25(30)28(4-2)21-11-6-5-7-12-21/h5-16H,3-4,17H2,1-2H3,(H,27,29)
InChIKeyUIOGJYLOXIQSLS-UHFFFAOYSA-N
XLogP5.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2-bromo-4-ethylphenoxy)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
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221916
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221937
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
3-bromo-4-ethoxy-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17222187
N-[(3-acetylphenyl)carbamothioyl]-2-(2-bromo-4-ethylphenoxy)acetamide
CID 1015265

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 17221948) is 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is CCc1ccc(OCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)c(Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is UIOGJYLOXIQSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c1-3-18-13-14-23(22(26)15-18)31-17-24(29)27-20-10-8-9-19(16-20)25(30)28(4-2)21-11-6-5-7-12-21/h5-16H,3-4,17H2,1-2H3,(H,27,29).
What are the key properties of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 481.39 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17221948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).