2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane

C14H17BrClF2NO — CID 156730163

IUPAC2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane
SMILESCC.O=C(NC1CC(F)(F)C1)C(Br)c1ccccc1Cl
InChIInChI=1S/C12H11BrClF2NO.C2H6/c13-10(8-3-1-2-4-9(8)14)11(18)17-7-5-12(15,16)6-7;1-2/h1-4,7,10H,5-6H2,(H,17,18);1-2H3
InChIKeyLIZKAWMKDSLGNR-UHFFFAOYSA-N
MW368.65 g/mol
LogP4.72
Rot. Bonds3

About 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane

2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane (PubChem CID 156730163) has the molecular formula C14H17BrClF2NO and a molecular weight of 368.65 g/mol. Its IUPAC name is 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane.

Molecular Properties

Compound Name2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane
PubChem CID156730163
Molecular FormulaC14H17BrClF2NO
Molecular Weight368.65 g/mol
Exact Mass367.02
IUPAC Name2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane
SMILESCC.O=C(NC1CC(F)(F)C1)C(Br)c1ccccc1Cl
InChIInChI=1S/C12H11BrClF2NO.C2H6/c13-10(8-3-1-2-4-9(8)14)11(18)17-7-5-12(15,16)6-7;1-2/h1-4,7,10H,5-6H2,(H,17,18);1-2H3
InChIKeyLIZKAWMKDSLGNR-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane?
The IUPAC name of 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane (CID 156730163) is 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane.
What is the SMILES notation for 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane?
The canonical SMILES for 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane is CC.O=C(NC1CC(F)(F)C1)C(Br)c1ccccc1Cl.
What is the InChIKey of 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane?
The InChIKey is LIZKAWMKDSLGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClF2NO.C2H6/c13-10(8-3-1-2-4-9(8)14)11(18)17-7-5-12(15,16)6-7;1-2/h1-4,7,10H,5-6H2,(H,17,18);1-2H3.
What are the key properties of 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane?
2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane has a molecular weight of 368.65 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)acetamide;ethane is sourced from PubChem (CID 156730163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).