N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide

C13H13FN2O — CID 55188581

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
SMILESN#Cc1ccc(CNC(=O)CC2CC2)c(F)c1
InChIInChI=1S/C13H13FN2O/c14-12-5-10(7-15)3-4-11(12)8-16-13(17)6-9-1-2-9/h3-5,9H,1-2,6,8H2,(H,16,17)
InChIKeyOYFDKGOFTAXLGF-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.11
Rot. Bonds4

About N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide

N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide (PubChem CID 55188581) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
PubChem CID55188581
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
SMILESN#Cc1ccc(CNC(=O)CC2CC2)c(F)c1
InChIInChI=1S/C13H13FN2O/c14-12-5-10(7-15)3-4-11(12)8-16-13(17)6-9-1-2-9/h3-5,9H,1-2,6,8H2,(H,16,17)
InChIKeyOYFDKGOFTAXLGF-UHFFFAOYSA-N
XLogP2.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209191
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 106133058
N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
CID 55191081
2-[(4-cyano-2-fluorophenyl)methylamino]-N-ethylacetamide
CID 43567000
1-[(4-cyano-2-fluorophenyl)methyl]-3-cyclohexylurea
CID 63359347
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538113
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
N-[(4-cyano-2-fluorophenyl)methyl]nonanamide
CID 63547890
2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 56813394
N-[(4-cyano-2-fluorophenyl)methyl]-3,5,5-trimethylhexanamide
CID 63359559

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide (CID 55188581) is N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide is N#Cc1ccc(CNC(=O)CC2CC2)c(F)c1.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide?
The InChIKey is OYFDKGOFTAXLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-12-5-10(7-15)3-4-11(12)8-16-13(17)6-9-1-2-9/h3-5,9H,1-2,6,8H2,(H,16,17).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide?
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide has a molecular weight of 232.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide is sourced from PubChem (CID 55188581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).