N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide

C15H17BrN2O2 — CID 104880332

IUPACN-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C15H17BrN2O2/c16-12-5-4-11(10-17)14(9-12)18-15(19)7-6-13-3-1-2-8-20-13/h4-5,9,13H,1-3,6-8H2,(H,18,19)
InChIKeyWSYVTYDLGSYTDG-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.61
Rot. Bonds4

About N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide

N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide (PubChem CID 104880332) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
PubChem CID104880332
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C15H17BrN2O2/c16-12-5-4-11(10-17)14(9-12)18-15(19)7-6-13-3-1-2-8-20-13/h4-5,9,13H,1-3,6-8H2,(H,18,19)
InChIKeyWSYVTYDLGSYTDG-UHFFFAOYSA-N
XLogP3.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 104848977
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide (CID 104880332) is N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide is N#Cc1ccc(Br)cc1NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is WSYVTYDLGSYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-12-5-4-11(10-17)14(9-12)18-15(19)7-6-13-3-1-2-8-20-13/h4-5,9,13H,1-3,6-8H2,(H,18,19).
What are the key properties of N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide?
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 337.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 104880332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).