3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H16BrCl2NO3 — CID 17131675

IUPAC3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C18H16BrCl2NO3/c19-16-6-11(3-4-17(16)25-10-15-2-1-5-24-15)18(23)22-14-8-12(20)7-13(21)9-14/h3-4,6-9,15H,1-2,5,10H2,(H,22,23)
InChIKeyPRMXLKBRDKPLQE-UHFFFAOYSA-N
MW445.14 g/mol
LogP5.57
Rot. Bonds5

About 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide

3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 17131675) has the molecular formula C18H16BrCl2NO3 and a molecular weight of 445.14 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID17131675
Molecular FormulaC18H16BrCl2NO3
Molecular Weight445.14 g/mol
Exact Mass442.97
IUPAC Name3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C18H16BrCl2NO3/c19-16-6-11(3-4-17(16)25-10-15-2-1-5-24-15)18(23)22-14-8-12(20)7-13(21)9-14/h3-4,6-9,15H,1-2,5,10H2,(H,22,23)
InChIKeyPRMXLKBRDKPLQE-UHFFFAOYSA-N
XLogP5.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.14
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17252213
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204952
3-bromo-N-(4-chloro-3-nitrophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131666
3-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoic acid
CID 54856098
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218870
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
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-N-tert-butyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 41280671
3-bromo-N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43887864

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 17131675) is 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(OCC2CCCO2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is PRMXLKBRDKPLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrCl2NO3/c19-16-6-11(3-4-17(16)25-10-15-2-1-5-24-15)18(23)22-14-8-12(20)7-13(21)9-14/h3-4,6-9,15H,1-2,5,10H2,(H,22,23).
What are the key properties of 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 445.14 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 17131675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).