N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide

C11H10BrClF3NO2 — CID 66665777

IUPACN-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)(c1cc(Br)ccc1F)C(F)F
InChIInChI=1S/C11H10BrClF3NO2/c12-6-1-2-8(14)7(3-6)11(5-18,10(15)16)17-9(19)4-13/h1-3,10,18H,4-5H2,(H,17,19)
InChIKeyBGFFXBDSGMKRBQ-UHFFFAOYSA-N
MW360.56 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide

N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide (PubChem CID 66665777) has the molecular formula C11H10BrClF3NO2 and a molecular weight of 360.56 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
PubChem CID66665777
Molecular FormulaC11H10BrClF3NO2
Molecular Weight360.56 g/mol
Exact Mass358.95
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)(c1cc(Br)ccc1F)C(F)F
InChIInChI=1S/C11H10BrClF3NO2/c12-6-1-2-8(14)7(3-6)11(5-18,10(15)16)17-9(19)4-13/h1-3,10,18H,4-5H2,(H,17,19)
InChIKeyBGFFXBDSGMKRBQ-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.56
LogP ≤ 52.40
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-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide (CID 66665777) is N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide is O=C(CCl)NC(CO)(c1cc(Br)ccc1F)C(F)F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
The InChIKey is BGFFXBDSGMKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO2/c12-6-1-2-8(14)7(3-6)11(5-18,10(15)16)17-9(19)4-13/h1-3,10,18H,4-5H2,(H,17,19).
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide?
N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide has a molecular weight of 360.56 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 66665777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).