2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide

C26H27BrN2O3 — CID 17188917

IUPAC2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H27BrN2O3/c1-18(2)22-16-20(27)12-13-24(22)32-17-25(30)29-23-11-7-6-10-21(23)26(31)28-15-14-19-8-4-3-5-9-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyKEUWNMASSZYYDK-UHFFFAOYSA-N
MW495.42 g/mol
LogP5.56
Rot. Bonds9

About 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 17188917) has the molecular formula C26H27BrN2O3 and a molecular weight of 495.42 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID17188917
Molecular FormulaC26H27BrN2O3
Molecular Weight495.42 g/mol
Exact Mass494.12
IUPAC Name2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H27BrN2O3/c1-18(2)22-16-20(27)12-13-24(22)32-17-25(30)29-23-11-7-6-10-21(23)26(31)28-15-14-19-8-4-3-5-9-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyKEUWNMASSZYYDK-UHFFFAOYSA-N
XLogP5.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17188944
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929765
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17188921
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17188929
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189087
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203094

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide (CID 17188917) is 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide is CC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is KEUWNMASSZYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O3/c1-18(2)22-16-20(27)12-13-24(22)32-17-25(30)29-23-11-7-6-10-21(23)26(31)28-15-14-19-8-4-3-5-9-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 495.42 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 17188917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).