3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H17Br2NO3 — CID 17252213

IUPAC3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C18H17Br2NO3/c19-13-3-1-4-14(10-13)21-18(22)12-6-7-17(16(20)9-12)24-11-15-5-2-8-23-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,22)
InChIKeyBGLZYEBPHCVLJE-UHFFFAOYSA-N
MW455.15 g/mol
LogP5.02
Rot. Bonds5

About 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide

3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 17252213) has the molecular formula C18H17Br2NO3 and a molecular weight of 455.15 g/mol. Its IUPAC name is 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID17252213
Molecular FormulaC18H17Br2NO3
Molecular Weight455.15 g/mol
Exact Mass452.96
IUPAC Name3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C18H17Br2NO3/c19-13-3-1-4-14(10-13)21-18(22)12-6-7-17(16(20)9-12)24-11-15-5-2-8-23-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,22)
InChIKeyBGLZYEBPHCVLJE-UHFFFAOYSA-N
XLogP5.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.15
LogP ≤ 55.02
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-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide
CID 17131651
3-bromo-N-[4-[4-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]phenoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17131851
3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131675
3-bromo-4-butoxy-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141903
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204952
3-bromo-4-hexoxy-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141909
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218870
3-bromo-N-(4-chloro-3-nitrophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131666
3-bromo-N-[2-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]cyclohexyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17131848
propyl 4-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17131683
3-bromo-4-(2-methylpropoxy)-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 17252213) is 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1cccc(Br)c1)c1ccc(OCC2CCCO2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is BGLZYEBPHCVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2NO3/c19-13-3-1-4-14(10-13)21-18(22)12-6-7-17(16(20)9-12)24-11-15-5-2-8-23-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,22).
What are the key properties of 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 455.15 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 17252213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).