N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H26FN3O3 — CID 8008909

IUPACN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H26FN3O3/c24-19-7-3-17(4-8-19)21(26-12-14-30-15-13-26)16-25-23(29)18-5-9-20(10-6-18)27-11-1-2-22(27)28/h3-10,21H,1-2,11-16H2,(H,25,29)/t21-/m1/s1
InChIKeyOUTZDQIJBRFXGO-OAQYLSRUSA-N
MW411.48 g/mol
LogP2.76
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 8008909) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID8008909
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H26FN3O3/c24-19-7-3-17(4-8-19)21(26-12-14-30-15-13-26)16-25-23(29)18-5-9-20(10-6-18)27-11-1-2-22(27)28/h3-10,21H,1-2,11-16H2,(H,25,29)/t21-/m1/s1
InChIKeyOUTZDQIJBRFXGO-OAQYLSRUSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 39969594
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 31960352
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-tert-butyl-N-[3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 27810065
tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate
CID 24546172
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38513895
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 42910330

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 8008909) is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is OUTZDQIJBRFXGO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26FN3O3/c24-19-7-3-17(4-8-19)21(26-12-14-30-15-13-26)16-25-23(29)18-5-9-20(10-6-18)27-11-1-2-22(27)28/h3-10,21H,1-2,11-16H2,(H,25,29)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 8008909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).