N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide

C13H13BrN2O2 — CID 104880211

IUPACN-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CC1CCCO1
InChIInChI=1S/C13H13BrN2O2/c14-10-4-3-9(8-15)12(6-10)16-13(17)7-11-2-1-5-18-11/h3-4,6,11H,1-2,5,7H2,(H,16,17)
InChIKeyPANSNPSDGGQBRU-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.83
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide

N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 104880211) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
PubChem CID104880211
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CC1CCCO1
InChIInChI=1S/C13H13BrN2O2/c14-10-4-3-9(8-15)12(6-10)16-13(17)7-11-2-1-5-18-11/h3-4,6,11H,1-2,5,7H2,(H,16,17)
InChIKeyPANSNPSDGGQBRU-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-(oxan-2-yl)acetamide
CID 104880413
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 113234651
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798155
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103278055
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide (CID 104880211) is N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide is N#Cc1ccc(Br)cc1NC(=O)CC1CCCO1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is PANSNPSDGGQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-10-4-3-9(8-15)12(6-10)16-13(17)7-11-2-1-5-18-11/h3-4,6,11H,1-2,5,7H2,(H,16,17).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide?
N-(5-bromo-2-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-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 104880211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).