3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide

C18H18BrNO3 — CID 17131651

IUPAC3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C18H18BrNO3/c19-16-11-13(18(21)20-14-5-2-1-3-6-14)8-9-17(16)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)
InChIKeyRHDRARNJVBNZNZ-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.26
Rot. Bonds5

About 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide

3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide (PubChem CID 17131651) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide.

Molecular Properties

Compound Name3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide
PubChem CID17131651
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C18H18BrNO3/c19-16-11-13(18(21)20-14-5-2-1-3-6-14)8-9-17(16)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)
InChIKeyRHDRARNJVBNZNZ-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoic acid
CID 54856098
3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17252213
3-bromo-N-[4-[4-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]phenoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17131851
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204952
3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131675
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218870
propyl 4-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17131683
3-bromo-N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43887864
3-bromo-N-(4-hexoxyphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131798
3-bromo-N-(4-heptoxyphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131804
3-bromo-N-[2-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]cyclohexyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17131848
3-bromo-4-(oxolan-2-ylmethoxy)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17131771

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide?
The IUPAC name of 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide (CID 17131651) is 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide.
What is the SMILES notation for 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide?
The canonical SMILES for 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(OCC2CCCO2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide?
The InChIKey is RHDRARNJVBNZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c19-16-11-13(18(21)20-14-5-2-1-3-6-14)8-9-17(16)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21).
What are the key properties of 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide?
3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide has a molecular weight of 376.25 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide is sourced from PubChem (CID 17131651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).