[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C22H24ClFN2O2 — CID 134805759

IUPAC[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C22H24ClFN2O2/c23-20-4-2-1-3-17(20)14-26-15-18(22(27)25-9-11-28-12-10-25)13-21(26)16-5-7-19(24)8-6-16/h1-8,18,21H,9-15H2/t18-,21-/m1/s1
InChIKeyFKTXMDZHKJSRBP-WIYYLYMNSA-N
MW402.90 g/mol
LogP3.90
Rot. Bonds4

About [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 134805759) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID134805759
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC Name[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C22H24ClFN2O2/c23-20-4-2-1-3-17(20)14-26-15-18(22(27)25-9-11-28-12-10-25)13-21(26)16-5-7-19(24)8-6-16/h1-8,18,21H,9-15H2/t18-,21-/m1/s1
InChIKeyFKTXMDZHKJSRBP-WIYYLYMNSA-N
XLogP3.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4882509
N-(2-chlorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24794213
(3R,5S)-5-(2-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565107
(3R,5S)-5-(3-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565153
(3R,5S)-5-(4-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565154
(3R,5S)-5-[4-(2-chlorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565209
US11077113, Example 8
CID 162533418
2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 18136223
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide
CID 46059755
[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 134807562
6-(2-chlorophenyl)-4-morpholino-1H-pyridin-2-one
CID 162533413
US11077113, Example 3
CID 162533414

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 134805759) is [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](c2ccc(F)cc2)N(Cc2ccccc2Cl)C1)N1CCOCC1.
What is the InChIKey of [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FKTXMDZHKJSRBP-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c23-20-4-2-1-3-17(20)14-26-15-18(22(27)25-9-11-28-12-10-25)13-21(26)16-5-7-19(24)8-6-16/h1-8,18,21H,9-15H2/t18-,21-/m1/s1.
What are the key properties of [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 402.90 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134805759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).