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

C11H12BrClFNO3 — CID 66665606

IUPACN-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)(CO)c1cc(Br)ccc1F
InChIInChI=1S/C11H12BrClFNO3/c12-7-1-2-9(14)8(3-7)11(5-16,6-17)15-10(18)4-13/h1-3,16-17H,4-6H2,(H,15,18)
InChIKeyCUUKNIPRGANVEE-UHFFFAOYSA-N
MW340.58 g/mol
LogP1.12
Rot. Bonds5

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

N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide (PubChem CID 66665606) has the molecular formula C11H12BrClFNO3 and a molecular weight of 340.58 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide
PubChem CID66665606
Molecular FormulaC11H12BrClFNO3
Molecular Weight340.58 g/mol
Exact Mass338.97
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)(CO)c1cc(Br)ccc1F
InChIInChI=1S/C11H12BrClFNO3/c12-7-1-2-9(14)8(3-7)11(5-16,6-17)15-10(18)4-13/h1-3,16-17H,4-6H2,(H,15,18)
InChIKeyCUUKNIPRGANVEE-UHFFFAOYSA-N
XLogP1.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-chloroacetamide
CID 66665738
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
CID 166431442
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188
N-[(2S)-2-(5-bromo-2-fluorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2,2,2-trifluoroacetamide
CID 126733631
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
benzyl N-[2-(5-bromo-2-fluorophenyl)-1-fluoro-4-hydroxybutan-2-yl]carbamate
CID 146342831
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzamide
CID 107844804
N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
CID 66931419
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
N-[1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropyl]-2-chloroacetamide
CID 76831232
2-(5-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
CID 150097607
(E)-3-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500806

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide (CID 66665606) is N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide is O=C(CCl)NC(CO)(CO)c1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide?
The InChIKey is CUUKNIPRGANVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO3/c12-7-1-2-9(14)8(3-7)11(5-16,6-17)15-10(18)4-13/h1-3,16-17H,4-6H2,(H,15,18).
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide?
N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide has a molecular weight of 340.58 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 66665606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).