N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide

C13H17BrN2O2 — CID 856353

IUPACN-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide
SMILESCc1ccc(NC(=O)CN2CCOCC2)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-10-2-3-12(11(14)8-10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17)
InChIKeyPMSVRKZIDVXHAH-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.03
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide

N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide (PubChem CID 856353) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide
PubChem CID856353
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide
SMILESCc1ccc(NC(=O)CN2CCOCC2)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-10-2-3-12(11(14)8-10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17)
InChIKeyPMSVRKZIDVXHAH-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide (CID 856353) is N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide is Cc1ccc(NC(=O)CN2CCOCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide?
The InChIKey is PMSVRKZIDVXHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-10-2-3-12(11(14)8-10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide?
N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide has a molecular weight of 313.19 g/mol, XLogP of 2.03, 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-methylphenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 856353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).