2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide

C13H16BrClN2O2 — CID 82837092

IUPAC2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide
SMILESCC1CCC(C(Nc2ccc(Cl)c(Br)c2)C(N)=O)O1
InChIInChI=1S/C13H16BrClN2O2/c1-7-2-5-11(19-7)12(13(16)18)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11-12,17H,2,5H2,1H3,(H2,16,18)
InChIKeySUMUOZAGIAMYRW-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide

2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide (PubChem CID 82837092) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide
PubChem CID82837092
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide
SMILESCC1CCC(C(Nc2ccc(Cl)c(Br)c2)C(N)=O)O1
InChIInChI=1S/C13H16BrClN2O2/c1-7-2-5-11(19-7)12(13(16)18)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11-12,17H,2,5H2,1H3,(H2,16,18)
InChIKeySUMUOZAGIAMYRW-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide?
The IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide (CID 82837092) is 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide?
The canonical SMILES for 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide is CC1CCC(C(Nc2ccc(Cl)c(Br)c2)C(N)=O)O1.
What is the InChIKey of 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide?
The InChIKey is SUMUOZAGIAMYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-7-2-5-11(19-7)12(13(16)18)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11-12,17H,2,5H2,1H3,(H2,16,18).
What are the key properties of 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide?
2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide has a molecular weight of 347.64 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide is sourced from PubChem (CID 82837092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).