2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide

C23H23FN2O2 — CID 102555836

IUPAC2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1cccc2ccccc12)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C23H23FN2O2/c24-21-11-4-3-10-20(21)22-16-26(14-15-28-22)23(27)25-13-12-18-8-5-7-17-6-1-2-9-19(17)18/h1-11,22H,12-16H2,(H,25,27)
InChIKeyYMSQXUBJKUPWKJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide

2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide (PubChem CID 102555836) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide
PubChem CID102555836
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1cccc2ccccc12)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C23H23FN2O2/c24-21-11-4-3-10-20(21)22-16-26(14-15-28-22)23(27)25-13-12-18-8-5-7-17-6-1-2-9-19(17)18/h1-11,22H,12-16H2,(H,25,27)
InChIKeyYMSQXUBJKUPWKJ-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide (CID 102555836) is 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide is O=C(NCCc1cccc2ccccc12)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide?
The InChIKey is YMSQXUBJKUPWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-21-11-4-3-10-20(21)22-16-26(14-15-28-22)23(27)25-13-12-18-8-5-7-17-6-1-2-9-19(17)18/h1-11,22H,12-16H2,(H,25,27).
What are the key properties of 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide?
2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 102555836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).