N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide

C11H11BrClF2NO2 — CID 66665688

IUPACN-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)(c1cccc(Br)c1)C(F)F
InChIInChI=1S/C11H11BrClF2NO2/c12-8-3-1-2-7(4-8)11(6-17,10(14)15)16-9(18)5-13/h1-4,10,17H,5-6H2,(H,16,18)
InChIKeyFTAIMDAABJUAOR-UHFFFAOYSA-N
MW342.57 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide

N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide (PubChem CID 66665688) has the molecular formula C11H11BrClF2NO2 and a molecular weight of 342.57 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
PubChem CID66665688
Molecular FormulaC11H11BrClF2NO2
Molecular Weight342.57 g/mol
Exact Mass340.96
IUPAC NameN-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)(c1cccc(Br)c1)C(F)F
InChIInChI=1S/C11H11BrClF2NO2/c12-8-3-1-2-7(4-8)11(6-17,10(14)15)16-9(18)5-13/h1-4,10,17H,5-6H2,(H,16,18)
InChIKeyFTAIMDAABJUAOR-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide (CID 66665688) is N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide is O=C(CCl)NC(CO)(c1cccc(Br)c1)C(F)F.
What is the InChIKey of N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The InChIKey is FTAIMDAABJUAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF2NO2/c12-8-3-1-2-7(4-8)11(6-17,10(14)15)16-9(18)5-13/h1-4,10,17H,5-6H2,(H,16,18).
What are the key properties of N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide has a molecular weight of 342.57 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 66665688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).