N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide

C19H27FN2O2 — CID 16811477

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H27FN2O2/c20-17-8-6-15(7-9-17)18(22-10-12-24-13-11-22)14-21-19(23)16-4-2-1-3-5-16/h6-9,16,18H,1-5,10-14H2,(H,21,23)
InChIKeyBHYQWHITXWDGNQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide (PubChem CID 16811477) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
PubChem CID16811477
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H27FN2O2/c20-17-8-6-15(7-9-17)18(22-10-12-24-13-11-22)14-21-19(23)16-4-2-1-3-5-16/h6-9,16,18H,1-5,10-14H2,(H,21,23)
InChIKeyBHYQWHITXWDGNQ-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide (CID 16811477) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide?
The InChIKey is BHYQWHITXWDGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-17-8-6-15(7-9-17)18(22-10-12-24-13-11-22)14-21-19(23)16-4-2-1-3-5-16/h6-9,16,18H,1-5,10-14H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16811477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).