4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide

C22H25FN2O3 — CID 9148546

IUPAC4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)N[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c23-19-8-6-18(7-9-19)21(26)10-11-22(27)24-20(17-4-2-1-3-5-17)16-25-12-14-28-15-13-25/h1-9,20H,10-16H2,(H,24,27)/t20-/m0/s1
InChIKeyDLMYCZILGWEGAO-FQEVSTJZSA-N
MW384.45 g/mol
LogP2.98
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide (PubChem CID 9148546) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
PubChem CID9148546
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)N[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c23-19-8-6-18(7-9-19)21(26)10-11-22(27)24-20(17-4-2-1-3-5-17)16-25-12-14-28-15-13-25/h1-9,20H,10-16H2,(H,24,27)/t20-/m0/s1
InChIKeyDLMYCZILGWEGAO-FQEVSTJZSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide
CID 110306181
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
4-(4-ethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 9144519
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 9144843
3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride
CID 120612134
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide (CID 9148546) is 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)N[C@@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide?
The InChIKey is DLMYCZILGWEGAO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-19-8-6-18(7-9-19)21(26)10-11-22(27)24-20(17-4-2-1-3-5-17)16-25-12-14-28-15-13-25/h1-9,20H,10-16H2,(H,24,27)/t20-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide has a molecular weight of 384.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide is sourced from PubChem (CID 9148546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).