N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide

C23H23FN2O2 — CID 121328249

IUPACN-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide
SMILESO=C(CC1CCC(Oc2cncc3ccccc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2/c24-18-7-9-19(10-8-18)26-23(27)13-16-5-11-20(12-6-16)28-22-15-25-14-17-3-1-2-4-21(17)22/h1-4,7-10,14-16,20H,5-6,11-13H2,(H,26,27)
InChIKeyDQBYZZFDZISNFH-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.34
Rot. Bonds5

About N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide

N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide (PubChem CID 121328249) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide
PubChem CID121328249
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC NameN-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide
SMILESO=C(CC1CCC(Oc2cncc3ccccc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2/c24-18-7-9-19(10-8-18)26-23(27)13-16-5-11-20(12-6-16)28-22-15-25-14-17-3-1-2-4-21(17)22/h1-4,7-10,14-16,20H,5-6,11-13H2,(H,26,27)
InChIKeyDQBYZZFDZISNFH-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide (CID 121328249) is N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide is O=C(CC1CCC(Oc2cncc3ccccc23)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide?
The InChIKey is DQBYZZFDZISNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-18-7-9-19(10-8-18)26-23(27)13-16-5-11-20(12-6-16)28-22-15-25-14-17-3-1-2-4-21(17)22/h1-4,7-10,14-16,20H,5-6,11-13H2,(H,26,27).
What are the key properties of N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide?
N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-isoquinolin-4-yloxycyclohexyl)acetamide is sourced from PubChem (CID 121328249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).