(3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C23H26ClN3O3 — CID 40975249

IUPAC(3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1=O
InChIInChI=1S/C23H26ClN3O3/c1-16(17-5-3-2-4-6-17)27-15-18(13-22(27)28)23(29)25-20-14-19(24)7-8-21(20)26-9-11-30-12-10-26/h2-8,14,16,18H,9-13,15H2,1H3,(H,25,29)/t16-,18+/m1/s1
InChIKeyAWKDUWUNKRYTMR-AEFFLSMTSA-N
MW427.93 g/mol
LogP3.72
Rot. Bonds5

About (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 40975249) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID40975249
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name(3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1=O
InChIInChI=1S/C23H26ClN3O3/c1-16(17-5-3-2-4-6-17)27-15-18(13-22(27)28)23(29)25-20-14-19(24)7-8-21(20)26-9-11-30-12-10-26/h2-8,14,16,18H,9-13,15H2,1H3,(H,25,29)/t16-,18+/m1/s1
InChIKeyAWKDUWUNKRYTMR-AEFFLSMTSA-N
XLogP3.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586344
(3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40974865
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55605896
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42999905
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108764768
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540904

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 40975249) is (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1=O.
What is the InChIKey of (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is AWKDUWUNKRYTMR-AEFFLSMTSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-16(17-5-3-2-4-6-17)27-15-18(13-22(27)28)23(29)25-20-14-19(24)7-8-21(20)26-9-11-30-12-10-26/h2-8,14,16,18H,9-13,15H2,1H3,(H,25,29)/t16-,18+/m1/s1.
What are the key properties of (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 40975249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).