N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide

C11H11BrF3NO2 — CID 64758724

IUPACN-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(Br)C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO2/c1-7(17)16-8-3-2-4-9(5-8)18-6-10(12)11(13,14)15/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyDQCAACNJDSEPKK-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.35
Rot. Bonds4

About N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide

N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide (PubChem CID 64758724) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide
PubChem CID64758724
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC NameN-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(Br)C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO2/c1-7(17)16-8-3-2-4-9(5-8)18-6-10(12)11(13,14)15/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyDQCAACNJDSEPKK-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
N-[3-[2-(bromomethyl)-3-methylbutoxy]phenyl]acetamide
CID 65011994
N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide
CID 65016573
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
CID 103160504
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide
CID 79792084
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide?
The IUPAC name of N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide (CID 64758724) is N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide is CC(=O)Nc1cccc(OCC(Br)C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide?
The InChIKey is DQCAACNJDSEPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c1-7(17)16-8-3-2-4-9(5-8)18-6-10(12)11(13,14)15/h2-5,10H,6H2,1H3,(H,16,17).
What are the key properties of N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide?
N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide has a molecular weight of 326.11 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide is sourced from PubChem (CID 64758724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).