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

C25H25BrN2O3 — CID 17350098

IUPAC2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C25H25BrN2O3/c1-25(2,3)17-13-14-22(20(26)15-17)31-16-23(29)28-21-12-8-7-11-19(21)24(30)27-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeySSDSJRJMXUQLIY-UHFFFAOYSA-N
MW481.39 g/mol
LogP6.02
Rot. Bonds6

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

2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide (PubChem CID 17350098) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
PubChem CID17350098
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC Name2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C25H25BrN2O3/c1-25(2,3)17-13-14-22(20(26)15-17)31-16-23(29)28-21-12-8-7-11-19(21)24(30)27-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeySSDSJRJMXUQLIY-UHFFFAOYSA-N
XLogP6.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17350181
N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4942012
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 4941879
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
2-(2-bromo-4-tert-butylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150986
N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4936441
2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide
CID 2203067
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
2-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide
CID 3291332
N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide
CID 53268539
4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide (CID 17350098) is 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c(Br)c1.
What is the InChIKey of 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide?
The InChIKey is SSDSJRJMXUQLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c1-25(2,3)17-13-14-22(20(26)15-17)31-16-23(29)28-21-12-8-7-11-19(21)24(30)27-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide?
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide has a molecular weight of 481.39 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 17350098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).