N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide

C22H16ClFN2O2 — CID 21079782

IUPACN-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(F)cc(C#N)c1
InChIInChI=1S/C22H16ClFN2O2/c1-14-6-7-15(11-22(27)26-20-5-3-2-4-19(20)23)10-21(14)28-18-9-16(13-25)8-17(24)12-18/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyVRGSKNFGNBKBPV-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.63
Rot. Bonds5

About N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide

N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide (PubChem CID 21079782) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide
PubChem CID21079782
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC NameN-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(F)cc(C#N)c1
InChIInChI=1S/C22H16ClFN2O2/c1-14-6-7-15(11-22(27)26-20-5-3-2-4-19(20)23)10-21(14)28-18-9-16(13-25)8-17(24)12-18/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyVRGSKNFGNBKBPV-UHFFFAOYSA-N
XLogP5.63
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide (CID 21079782) is N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide is Cc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(F)cc(C#N)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide?
The InChIKey is VRGSKNFGNBKBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c1-14-6-7-15(11-22(27)26-20-5-3-2-4-19(20)23)10-21(14)28-18-9-16(13-25)8-17(24)12-18/h2-10,12H,11H2,1H3,(H,26,27).
What are the key properties of N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide?
N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide has a molecular weight of 394.83 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(3-cyano-5-fluorophenoxy)-4-methylphenyl]acetamide is sourced from PubChem (CID 21079782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).