3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide

C16H16BrNO2 — CID 79465458

IUPAC3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(O)cc2)cc1Br
InChIInChI=1S/C16H16BrNO2/c1-11-2-5-13(10-15(11)17)16(20)18-9-8-12-3-6-14(19)7-4-12/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyFINNQEJNLWXCFB-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.44
Rot. Bonds4

About 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide

3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 79465458) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
PubChem CID79465458
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(O)cc2)cc1Br
InChIInChI=1S/C16H16BrNO2/c1-11-2-5-13(10-15(11)17)16(20)18-9-8-12-3-6-14(19)7-4-12/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyFINNQEJNLWXCFB-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide (CID 79465458) is 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccc(O)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is FINNQEJNLWXCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-2-5-13(10-15(11)17)16(20)18-9-8-12-3-6-14(19)7-4-12/h2-7,10,19H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide?
3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 334.21 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 79465458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).