4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide

C17H18BrNO4 — CID 3246784

IUPAC4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide
SMILESCOc1ccc(OCC(O)CNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO4/c1-22-15-6-8-16(9-7-15)23-11-14(20)10-19-17(21)12-2-4-13(18)5-3-12/h2-9,14,20H,10-11H2,1H3,(H,19,21)
InChIKeyYFFPOPZKNCSQAI-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.63
Rot. Bonds7

About 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide

4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide (PubChem CID 3246784) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide
PubChem CID3246784
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide
SMILESCOc1ccc(OCC(O)CNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO4/c1-22-15-6-8-16(9-7-15)23-11-14(20)10-19-17(21)12-2-4-13(18)5-3-12/h2-9,14,20H,10-11H2,1H3,(H,19,21)
InChIKeyYFFPOPZKNCSQAI-UHFFFAOYSA-N
XLogP2.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide?
The IUPAC name of 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide (CID 3246784) is 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide is COc1ccc(OCC(O)CNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide?
The InChIKey is YFFPOPZKNCSQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-22-15-6-8-16(9-7-15)23-11-14(20)10-19-17(21)12-2-4-13(18)5-3-12/h2-9,14,20H,10-11H2,1H3,(H,19,21).
What are the key properties of 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide?
4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide has a molecular weight of 380.24 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide is sourced from PubChem (CID 3246784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).