3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride

C17H24ClFN2O2 — CID 119811117

IUPAC3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1
InChIInChI=1S/C17H23FN2O2.ClH/c18-15-10-13(7-8-16(15)22-14-5-2-6-14)20-17(21)11-3-1-4-12(19)9-11;/h7-8,10-12,14H,1-6,9,19H2,(H,20,21);1H
InChIKeyFMYGRUFBJWAWLH-UHFFFAOYSA-N
MW342.84 g/mol
LogP3.63
Rot. Bonds4

About 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119811117) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119811117
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1
InChIInChI=1S/C17H23FN2O2.ClH/c18-15-10-13(7-8-16(15)22-14-5-2-6-14)20-17(21)11-3-1-4-12(19)9-11;/h7-8,10-12,14H,1-6,9,19H2,(H,20,21);1H
InChIKeyFMYGRUFBJWAWLH-UHFFFAOYSA-N
XLogP3.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119811117) is 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1.
What is the InChIKey of 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FMYGRUFBJWAWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2.ClH/c18-15-10-13(7-8-16(15)22-14-5-2-6-14)20-17(21)11-3-1-4-12(19)9-11;/h7-8,10-12,14H,1-6,9,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119811117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).