[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C23H25FN2O4 — CID 93151909

IUPAC[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C23H25FN2O4/c1-29-21-5-3-2-4-18(21)19-14-26(22(27)16-6-8-17(24)9-7-16)15-20(19)23(28)25-10-12-30-13-11-25/h2-9,19-20H,10-15H2,1H3/t19-,20-/m0/s1
InChIKeyHXKGDAHCYVBWTG-PMACEKPBSA-N
MW412.46 g/mol
LogP2.55
Rot. Bonds4

About [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 93151909) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID93151909
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C23H25FN2O4/c1-29-21-5-3-2-4-18(21)19-14-26(22(27)16-6-8-17(24)9-7-16)15-20(19)23(28)25-10-12-30-13-11-25/h2-9,19-20H,10-15H2,1H3/t19-,20-/m0/s1
InChIKeyHXKGDAHCYVBWTG-PMACEKPBSA-N
XLogP2.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42681054
[4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 86771877
(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151820
(3S,4S)-N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151900
N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42681040
(3S,4S)-N-benzyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151783
[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42829669
1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829632
(3R,4R)-1-benzoyl-N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151893
[1-(4-fluorobenzoyl)-4-(4-methylphenyl)pyrrolidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42680503
[1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42826342
[(3R,4S)-1-(4-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93148565

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 93151909) is [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is COc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is HXKGDAHCYVBWTG-PMACEKPBSA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-29-21-5-3-2-4-18(21)19-14-26(22(27)16-6-8-17(24)9-7-16)15-20(19)23(28)25-10-12-30-13-11-25/h2-9,19-20H,10-15H2,1H3/t19-,20-/m0/s1.
What are the key properties of [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 412.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 93151909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).