2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

C23H25FN2O3 — CID 7571405

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C23H25FN2O3/c1-28-22-13-18(14-25)9-12-21(22)29-16-23(27)26(20-5-3-2-4-6-20)15-17-7-10-19(24)11-8-17/h7-13,20H,2-6,15-16H2,1H3
InChIKeyGXDWYRVSVJHIQA-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.45
Rot. Bonds7

About 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7571405) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7571405
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C23H25FN2O3/c1-28-22-13-18(14-25)9-12-21(22)29-16-23(27)26(20-5-3-2-4-6-20)15-17-7-10-19(24)11-8-17/h7-13,20H,2-6,15-16H2,1H3
InChIKeyGXDWYRVSVJHIQA-UHFFFAOYSA-N
XLogP4.45
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (CID 7571405) is 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is COc1cc(C#N)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GXDWYRVSVJHIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-28-22-13-18(14-25)9-12-21(22)29-16-23(27)26(20-5-3-2-4-6-20)15-17-7-10-19(24)11-8-17/h7-13,20H,2-6,15-16H2,1H3.
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 396.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7571405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).