2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide

C14H16BrClFNO — CID 62225718

IUPAC2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrClFNO/c15-9-6-7-12(17)11(8-9)13(16)14(19)18-10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,18,19)
InChIKeyWKTXGXNPGUCUOO-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.32
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide

2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide (PubChem CID 62225718) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide
PubChem CID62225718
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrClFNO/c15-9-6-7-12(17)11(8-9)13(16)14(19)18-10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,18,19)
InChIKeyWKTXGXNPGUCUOO-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide
CID 66158767
2-chloro-N-cyclopentyl-2-(4-fluoro-3-methylphenyl)acetamide
CID 62224609
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate
CID 9387980
2-(4-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
CID 55048105
2-(5-bromo-2-fluorophenyl)-2-chloroacetamide
CID 62226242
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide
CID 69259424
ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
CID 60998047
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide (CID 62225718) is 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide is O=C(NC1CCCCC1)C(Cl)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide?
The InChIKey is WKTXGXNPGUCUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c15-9-6-7-12(17)11(8-9)13(16)14(19)18-10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,18,19).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide?
2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide has a molecular weight of 348.64 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide is sourced from PubChem (CID 62225718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).