[4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C23H25FN2O3 — CID 42681333

IUPAC[4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CC(C(=O)N3CCOCC3)C(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)22(27)26-14-20(18-3-2-4-19(24)13-18)21(15-26)23(28)25-9-11-29-12-10-25/h2-8,13,20-21H,9-12,14-15H2,1H3
InChIKeyWCMFRBNMCKXOIG-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.85
Rot. Bonds3

About [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42681333) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42681333
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name[4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CC(C(=O)N3CCOCC3)C(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)22(27)26-14-20(18-3-2-4-19(24)13-18)21(15-26)23(28)25-9-11-29-12-10-25/h2-8,13,20-21H,9-12,14-15H2,1H3
InChIKeyWCMFRBNMCKXOIG-UHFFFAOYSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 42681333) is [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(C(=O)N2CC(C(=O)N3CCOCC3)C(c3cccc(F)c3)C2)cc1.
What is the InChIKey of [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WCMFRBNMCKXOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)22(27)26-14-20(18-3-2-4-19(24)13-18)21(15-26)23(28)25-9-11-29-12-10-25/h2-8,13,20-21H,9-12,14-15H2,1H3.
What are the key properties of [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 396.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42681333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).