2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide

C15H19BrFNO3 — CID 24878241

IUPAC2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)C(O)c1ccc(Br)cc1F)C1CCC(O)CC1
InChIInChI=1S/C15H19BrFNO3/c1-18(10-3-5-11(19)6-4-10)15(21)14(20)12-7-2-9(16)8-13(12)17/h2,7-8,10-11,14,19-20H,3-6H2,1H3
InChIKeyFETAUBWQGUNZNE-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.38
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide

2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 24878241) has the molecular formula C15H19BrFNO3 and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide
PubChem CID24878241
Molecular FormulaC15H19BrFNO3
Molecular Weight360.22 g/mol
Exact Mass359.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)C(O)c1ccc(Br)cc1F)C1CCC(O)CC1
InChIInChI=1S/C15H19BrFNO3/c1-18(10-3-5-11(19)6-4-10)15(21)14(20)12-7-2-9(16)8-13(12)17/h2,7-8,10-11,14,19-20H,3-6H2,1H3
InChIKeyFETAUBWQGUNZNE-UHFFFAOYSA-N
XLogP2.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 11370086
(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 15357555
2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 101181604
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 134917856
6-[(4-Bromophenyl)-hydroxymethyl]-3-(4-fluorophenyl)-1-methylpyrazin-2-one
CID 146162836
2-hydroxy-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 10911518
4-bromo-N-cyclohexyl-alpha-hydroxybenzeneacetamide
CID 129841181
2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide
CID 75518879
(2R)-2-(4-bromophenyl)-N-(2-cyanoethyl)-N-(cyclopropylmethyl)-2-hydroxyacetamide
CID 97250762
(2R)-2-(4-fluorophenyl)-2-hydroxy-N-(4-methoxycyclohexyl)acetamide
CID 99973442
2-(4-Bromo-2-fluorophenyl)-2-hydroxy-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24878238
1-(4-Bromo-2-fluorophenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethanol
CID 24878239

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide (CID 24878241) is 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)C(O)c1ccc(Br)cc1F)C1CCC(O)CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is FETAUBWQGUNZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO3/c1-18(10-3-5-11(19)6-4-10)15(21)14(20)12-7-2-9(16)8-13(12)17/h2,7-8,10-11,14,19-20H,3-6H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide?
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 360.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 24878241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).