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

C19H20BrNO3 — CID 3476681

IUPAC4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C19H20BrNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22)
InChIKeyOASQUDXEWKAUHT-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.94
Rot. Bonds6

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

4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3476681) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3476681
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C19H20BrNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22)
InChIKeyOASQUDXEWKAUHT-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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Related Compounds

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2-bromo-N-(furan-2-ylmethyl)benzamide
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4-[(3,4-Dimethylphenoxy)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide
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[4-[(2-Bromophenoxy)methyl]phenyl]-(1-piperidinyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 3476681) is 4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is OASQUDXEWKAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-2,5-10,16H,3-4,11-13H2,(H,21,22).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[(2-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-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3476681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).