2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide

C11H12BrF2NO2 — CID 103769732

IUPAC2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCC(O)C(F)F
InChIInChI=1S/C11H12BrF2NO2/c12-8-3-1-7(2-4-8)5-10(17)15-6-9(16)11(13)14/h1-4,9,11,16H,5-6H2,(H,15,17)
InChIKeyUZFUHGWXNCVBRV-UHFFFAOYSA-N
MW308.12 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide

2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 103769732) has the molecular formula C11H12BrF2NO2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID103769732
Molecular FormulaC11H12BrF2NO2
Molecular Weight308.12 g/mol
Exact Mass307.00
IUPAC Name2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCC(O)C(F)F
InChIInChI=1S/C11H12BrF2NO2/c12-8-3-1-7(2-4-8)5-10(17)15-6-9(16)11(13)14/h1-4,9,11,16H,5-6H2,(H,15,17)
InChIKeyUZFUHGWXNCVBRV-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)prop-2-enamide
CID 113258550
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089872
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide
CID 76952762
2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
CID 43017681
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 103770190
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587
[(1S)-2-[[2-(4-bromophenyl)acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 2098274

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 103769732) is 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(Cc1ccc(Br)cc1)NCC(O)C(F)F.
What is the InChIKey of 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is UZFUHGWXNCVBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2/c12-8-3-1-7(2-4-8)5-10(17)15-6-9(16)11(13)14/h1-4,9,11,16H,5-6H2,(H,15,17).
What are the key properties of 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 308.12 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103769732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).