N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide

C13H13BrN2O2 — CID 113234651

IUPACN-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CC2CCCO2)c(Br)c1
InChIInChI=1S/C13H13BrN2O2/c14-11-6-9(8-15)3-4-12(11)16-13(17)7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7H2,(H,16,17)
InChIKeyVLXKDSSNPQUYIL-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.83
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide

N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 113234651) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
PubChem CID113234651
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CC2CCCO2)c(Br)c1
InChIInChI=1S/C13H13BrN2O2/c14-11-6-9(8-15)3-4-12(11)16-13(17)7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7H2,(H,16,17)
InChIKeyVLXKDSSNPQUYIL-UHFFFAOYSA-N
XLogP2.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide
CID 113231348
N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide
CID 115897768
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 104848977
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide (CID 113234651) is N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide is N#Cc1ccc(NC(=O)CC2CCCO2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is VLXKDSSNPQUYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-11-6-9(8-15)3-4-12(11)16-13(17)7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7H2,(H,16,17).
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide?
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 309.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 113234651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).