4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide

C23H29BrN2O3 — CID 17195320

IUPAC4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)COc2ccc(C(C)CC)cc2Br)cc1
InChIInChI=1S/C23H29BrN2O3/c1-4-6-13-25-23(28)17-7-10-19(11-8-17)26-22(27)15-29-21-12-9-18(14-20(21)24)16(3)5-2/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyGGIHWCGLISZBDI-UHFFFAOYSA-N
MW461.40 g/mol
LogP5.51
Rot. Bonds10

About 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide

4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide (PubChem CID 17195320) has the molecular formula C23H29BrN2O3 and a molecular weight of 461.40 g/mol. Its IUPAC name is 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
PubChem CID17195320
Molecular FormulaC23H29BrN2O3
Molecular Weight461.40 g/mol
Exact Mass460.14
IUPAC Name4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)COc2ccc(C(C)CC)cc2Br)cc1
InChIInChI=1S/C23H29BrN2O3/c1-4-6-13-25-23(28)17-7-10-19(11-8-17)26-22(27)15-29-21-12-9-18(14-20(21)24)16(3)5-2/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyGGIHWCGLISZBDI-UHFFFAOYSA-N
XLogP5.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide 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-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17197070
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 17229859
N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17189464
N-[4-[[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]carbamoyl]phenyl]butanamide
CID 17189704
propyl 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 17189488
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17189631
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230322
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17189618
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide?
The IUPAC name of 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide (CID 17195320) is 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide.
What is the SMILES notation for 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide?
The canonical SMILES for 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide is CCCCNC(=O)c1ccc(NC(=O)COc2ccc(C(C)CC)cc2Br)cc1.
What is the InChIKey of 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide?
The InChIKey is GGIHWCGLISZBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O3/c1-4-6-13-25-23(28)17-7-10-19(11-8-17)26-22(27)15-29-21-12-9-18(14-20(21)24)16(3)5-2/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide?
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide has a molecular weight of 461.40 g/mol, XLogP of 5.51, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide is sourced from PubChem (CID 17195320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).