3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide

C19H21BrN2O3 — CID 26160615

IUPAC3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H21BrN2O3/c1-19(2,3)15-10-13(20)7-8-16(15)25-11-17(23)22-14-6-4-5-12(9-14)18(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyZTELHUTWSTXDIB-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.86
Rot. Bonds5

About 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide

3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide (PubChem CID 26160615) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
PubChem CID26160615
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H21BrN2O3/c1-19(2,3)15-10-13(20)7-8-16(15)25-11-17(23)22-14-6-4-5-12(9-14)18(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyZTELHUTWSTXDIB-UHFFFAOYSA-N
XLogP3.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414
N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
CID 17356505
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
methyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 7707998
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909
butyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19166259

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide (CID 26160615) is 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide?
The InChIKey is ZTELHUTWSTXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-19(2,3)15-10-13(20)7-8-16(15)25-11-17(23)22-14-6-4-5-12(9-14)18(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23).
What are the key properties of 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide?
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide has a molecular weight of 405.29 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 26160615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).