4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide

C15H19FN2O3 — CID 45185870

IUPAC4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O3/c16-12-3-1-2-11(8-12)9-13-10-18(6-7-21-13)15(20)5-4-14(17)19/h1-3,8,13H,4-7,9-10H2,(H2,17,19)
InChIKeyOKRMTQSWFSGNBB-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.86
Rot. Bonds5

About 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide

4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide (PubChem CID 45185870) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide
PubChem CID45185870
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O3/c16-12-3-1-2-11(8-12)9-13-10-18(6-7-21-13)15(20)5-4-14(17)19/h1-3,8,13H,4-7,9-10H2,(H2,17,19)
InChIKeyOKRMTQSWFSGNBB-UHFFFAOYSA-N
XLogP0.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide?
The IUPAC name of 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide (CID 45185870) is 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide?
The canonical SMILES for 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide is NC(=O)CCC(=O)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide?
The InChIKey is OKRMTQSWFSGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-3-1-2-11(8-12)9-13-10-18(6-7-21-13)15(20)5-4-14(17)19/h1-3,8,13H,4-7,9-10H2,(H2,17,19).
What are the key properties of 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide?
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide has a molecular weight of 294.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-oxobutanamide is sourced from PubChem (CID 45185870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).