4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide

C19H20BrNO3 — CID 3262709

IUPAC4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H20BrNO3/c20-16-7-9-17(10-8-16)24-13-14-3-5-15(6-4-14)19(22)21-12-18-2-1-11-23-18/h3-10,18H,1-2,11-13H2,(H,21,22)
InChIKeyXOQLVPUKCHMPNL-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.94
Rot. Bonds6

About 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3262709) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3262709
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H20BrNO3/c20-16-7-9-17(10-8-16)24-13-14-3-5-15(6-4-14)19(22)21-12-18-2-1-11-23-18/h3-10,18H,1-2,11-13H2,(H,21,22)
InChIKeyXOQLVPUKCHMPNL-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 3262709) is 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(COc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is XOQLVPUKCHMPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c20-16-7-9-17(10-8-16)24-13-14-3-5-15(6-4-14)19(22)21-12-18-2-1-11-23-18/h3-10,18H,1-2,11-13H2,(H,21,22).
What are the key properties of 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 390.28 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3262709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).