N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide

C22H27BrN2O3 — CID 17202547

IUPACN-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C22H27BrN2O3/c1-5-6-20(26)24-16-8-10-17(11-9-16)25-21(27)14-28-19-12-7-15(13-18(19)23)22(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyWJHGQAUIGVVGML-UHFFFAOYSA-N
MW447.37 g/mol
LogP5.50
Rot. Bonds7

About N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide

N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide (PubChem CID 17202547) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
PubChem CID17202547
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC NameN-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C22H27BrN2O3/c1-5-6-20(26)24-16-8-10-17(11-9-16)25-21(27)14-28-19-12-7-15(13-18(19)23)22(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyWJHGQAUIGVVGML-UHFFFAOYSA-N
XLogP5.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.37
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide 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

2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194089
3-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780608
2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 17350184
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-tert-butylphenoxy)acetamide
CID 17350095
4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
CID 19201575
2-(2-bromo-4-tert-butylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100513139
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
CID 19201486
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
CID 17350672
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
CID 4922528
4-(2-bromo-4-tert-butylphenoxy)-N-[4-[(2-cyanoacetyl)amino]phenyl]butanamide
CID 108922519

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide (CID 17202547) is N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1.
What is the InChIKey of N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide?
The InChIKey is WJHGQAUIGVVGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-5-6-20(26)24-16-8-10-17(11-9-16)25-21(27)14-28-19-12-7-15(13-18(19)23)22(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide has a molecular weight of 447.37 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 17202547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).