4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide

C21H23FN2O3 — CID 171141847

IUPAC4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2COCC(=O)N2Cc2ccc(F)cc2)c1
InChIInChI=1S/C21H23FN2O3/c1-14(2)16-4-3-5-18(10-16)23-21(26)19-12-27-13-20(25)24(19)11-15-6-8-17(22)9-7-15/h3-10,14,19H,11-13H2,1-2H3,(H,23,26)
InChIKeyTZWRHEOCORKCKH-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.32
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide

4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide (PubChem CID 171141847) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide
PubChem CID171141847
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2COCC(=O)N2Cc2ccc(F)cc2)c1
InChIInChI=1S/C21H23FN2O3/c1-14(2)16-4-3-5-18(10-16)23-21(26)19-12-27-13-20(25)24(19)11-15-6-8-17(22)9-7-15/h3-10,14,19H,11-13H2,1-2H3,(H,23,26)
InChIKeyTZWRHEOCORKCKH-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide (CID 171141847) is 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide is CC(C)c1cccc(NC(=O)C2COCC(=O)N2Cc2ccc(F)cc2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide?
The InChIKey is TZWRHEOCORKCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14(2)16-4-3-5-18(10-16)23-21(26)19-12-27-13-20(25)24(19)11-15-6-8-17(22)9-7-15/h3-10,14,19H,11-13H2,1-2H3,(H,23,26).
What are the key properties of 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide?
4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-5-oxo-N-(3-propan-2-ylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 171141847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).