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

C22H23FN2O4 — CID 110306181

IUPAC4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)N[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H23FN2O4/c23-18-8-6-16(7-9-18)19(26)10-11-20(27)24-21(17-4-2-1-3-5-17)22(28)25-12-14-29-15-13-25/h1-9,21H,10-15H2,(H,24,27)/t21-/m0/s1
InChIKeyKDRQRHSYGSKLSO-NRFANRHFSA-N
MW398.43 g/mol
LogP2.50
Rot. Bonds7

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

4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide (PubChem CID 110306181) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide
PubChem CID110306181
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)N[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H23FN2O4/c23-18-8-6-16(7-9-18)19(26)10-11-20(27)24-21(17-4-2-1-3-5-17)22(28)25-12-14-29-15-13-25/h1-9,21H,10-15H2,(H,24,27)/t21-/m0/s1
InChIKeyKDRQRHSYGSKLSO-NRFANRHFSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]pentanamide
CID 110306179
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
CID 110306132
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-naphthalen-1-ylacetamide
CID 51960254
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
CID 110306164
N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110626186
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide (CID 110306181) is 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)N[C@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide?
The InChIKey is KDRQRHSYGSKLSO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-18-8-6-16(7-9-18)19(26)10-11-20(27)24-21(17-4-2-1-3-5-17)22(28)25-12-14-29-15-13-25/h1-9,21H,10-15H2,(H,24,27)/t21-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide has a molecular weight of 398.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide is sourced from PubChem (CID 110306181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).