N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide

C16H19FN2O2 — CID 111538113

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESN#Cc1ccc(CNC(=O)CC2(O)CCCCC2)c(F)c1
InChIInChI=1S/C16H19FN2O2/c17-14-8-12(10-18)4-5-13(14)11-19-15(20)9-16(21)6-2-1-3-7-16/h4-5,8,21H,1-3,6-7,9,11H2,(H,19,20)
InChIKeyOUOCMYDTEGQGSI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide

N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111538113) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111538113
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESN#Cc1ccc(CNC(=O)CC2(O)CCCCC2)c(F)c1
InChIInChI=1S/C16H19FN2O2/c17-14-8-12(10-18)4-5-13(14)11-19-15(20)9-16(21)6-2-1-3-7-16/h4-5,8,21H,1-3,6-7,9,11H2,(H,19,20)
InChIKeyOUOCMYDTEGQGSI-UHFFFAOYSA-N
XLogP2.40
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111520470
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111508720
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
1-[(4-cyano-2-fluorophenyl)methyl]-3-cyclohexylurea
CID 63359347
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
CID 55191081
N-[(4-cyano-2-fluorophenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209191
N-[(4-cyano-2-fluorophenyl)methyl]-3,5,5-trimethylhexanamide
CID 63359559
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
N-[(4-cyano-2-fluorophenyl)methyl]nonanamide
CID 63547890
2-[(4-cyano-2-fluorophenyl)methylamino]-N-ethylacetamide
CID 43567000
3-fluoro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzonitrile
CID 115748264

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111538113) is N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide is N#Cc1ccc(CNC(=O)CC2(O)CCCCC2)c(F)c1.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is OUOCMYDTEGQGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-14-8-12(10-18)4-5-13(14)11-19-15(20)9-16(21)6-2-1-3-7-16/h4-5,8,21H,1-3,6-7,9,11H2,(H,19,20).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 290.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111538113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).