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

C14H16BrCl2NO — CID 66158767

IUPAC2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H16BrCl2NO/c15-12-7-6-9(16)8-11(12)13(17)14(19)18-10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,18,19)
InChIKeyQBZHQOJWFQSXJI-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.83
Rot. Bonds3

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

2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide (PubChem CID 66158767) has the molecular formula C14H16BrCl2NO and a molecular weight of 365.10 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide
PubChem CID66158767
Molecular FormulaC14H16BrCl2NO
Molecular Weight365.10 g/mol
Exact Mass362.98
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H16BrCl2NO/c15-12-7-6-9(16)8-11(12)13(17)14(19)18-10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,18,19)
InChIKeyQBZHQOJWFQSXJI-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.83
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-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide
CID 62225718
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
CID 66157058
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
CID 115381256
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
CID 66158422
2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
CID 114454640
2-(4-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
CID 55048105
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
azepan-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 66157676

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide (CID 66158767) is 2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide is O=C(NC1CCCCC1)C(Cl)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide?
The InChIKey is QBZHQOJWFQSXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrCl2NO/c15-12-7-6-9(16)8-11(12)13(17)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-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide?
2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide has a molecular weight of 365.10 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide is sourced from PubChem (CID 66158767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).