N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide

C17H25FN2O — CID 2523210

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
SMILESCN(C)C1(CNC(=O)Cc2ccccc2F)CCCCC1
InChIInChI=1S/C17H25FN2O/c1-20(2)17(10-6-3-7-11-17)13-19-16(21)12-14-8-4-5-9-15(14)18/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyYQNOSGWTBJYVGR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.75
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 2523210) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
PubChem CID2523210
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
SMILESCN(C)C1(CNC(=O)Cc2ccccc2F)CCCCC1
InChIInChI=1S/C17H25FN2O/c1-20(2)17(10-6-3-7-11-17)13-19-16(21)12-14-8-4-5-9-15(14)18/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyYQNOSGWTBJYVGR-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-phenethyl-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide (CID 2523210) is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide is CN(C)C1(CNC(=O)Cc2ccccc2F)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is YQNOSGWTBJYVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-20(2)17(10-6-3-7-11-17)13-19-16(21)12-14-8-4-5-9-15(14)18/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2523210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).