2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide

C19H19BrN2O2 — CID 2203067

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C#N)c(Br)c1
InChIInChI=1S/C19H19BrN2O2/c1-19(2,3)14-8-9-17(15(20)10-14)24-12-18(23)22-16-7-5-4-6-13(16)11-21/h4-10H,12H2,1-3H3,(H,22,23)
InChIKeyFLJSAWOSKJLGSA-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.64
Rot. Bonds4

About 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide (PubChem CID 2203067) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide
PubChem CID2203067
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C#N)c(Br)c1
InChIInChI=1S/C19H19BrN2O2/c1-19(2,3)14-8-9-17(15(20)10-14)24-12-18(23)22-16-7-5-4-6-13(16)11-21/h4-10H,12H2,1-3H3,(H,22,23)
InChIKeyFLJSAWOSKJLGSA-UHFFFAOYSA-N
XLogP4.64
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-tert-butylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150986
N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide
CID 53268539
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17350181
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
2-(5-bromo-2-fluorophenoxy)-N-(2-cyanophenyl)acetamide
CID 115918411
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide (CID 2203067) is 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C#N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide?
The InChIKey is FLJSAWOSKJLGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-19(2,3)14-8-9-17(15(20)10-14)24-12-18(23)22-16-7-5-4-6-13(16)11-21/h4-10H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide has a molecular weight of 387.28 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 2203067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).