N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C23H26FN3O3 — CID 39969594

IUPACN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H26FN3O3/c24-19-8-6-17(7-9-19)21(26-11-13-30-14-12-26)16-25-23(29)18-3-1-4-20(15-18)27-10-2-5-22(27)28/h1,3-4,6-9,15,21H,2,5,10-14,16H2,(H,25,29)/t21-/m1/s1
InChIKeyNIDIPHQJOMYQNP-OAQYLSRUSA-N
MW411.48 g/mol
LogP2.76
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 39969594) 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]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID39969594
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H26FN3O3/c24-19-8-6-17(7-9-19)21(26-11-13-30-14-12-26)16-25-23(29)18-3-1-4-20(15-18)27-10-2-5-22(27)28/h1,3-4,6-9,15,21H,2,5,10-14,16H2,(H,25,29)/t21-/m1/s1
InChIKeyNIDIPHQJOMYQNP-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]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8008909
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N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
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N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
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CID 55843403
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CID 4249333
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CID 22695295
3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 16812668
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 39969594) is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is NIDIPHQJOMYQNP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26FN3O3/c24-19-8-6-17(7-9-19)21(26-11-13-30-14-12-26)16-25-23(29)18-3-1-4-20(15-18)27-10-2-5-22(27)28/h1,3-4,6-9,15,21H,2,5,10-14,16H2,(H,25,29)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(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]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 39969594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).