[(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H18ClFN2O3 — CID 110876195

IUPAC[(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1C[C@@H](F)CN1C(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C16H18ClFN2O3/c17-12-3-1-11(2-4-12)15(21)20-10-13(18)9-14(20)16(22)19-5-7-23-8-6-19/h1-4,13-14H,5-10H2/t13-,14-/m1/s1
InChIKeyVNAVRGRIRJBBPN-ZIAGYGMSSA-N
MW340.78 g/mol
LogP1.75
Rot. Bonds2

About [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110876195) has the molecular formula C16H18ClFN2O3 and a molecular weight of 340.78 g/mol. Its IUPAC name is [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110876195
Molecular FormulaC16H18ClFN2O3
Molecular Weight340.78 g/mol
Exact Mass340.10
IUPAC Name[(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1C[C@@H](F)CN1C(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C16H18ClFN2O3/c17-12-3-1-11(2-4-12)15(21)20-10-13(18)9-14(20)16(22)19-5-7-23-8-6-19/h1-4,13-14H,5-10H2/t13-,14-/m1/s1
InChIKeyVNAVRGRIRJBBPN-ZIAGYGMSSA-N
XLogP1.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110876195) is [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@H]1C[C@@H](F)CN1C(=O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VNAVRGRIRJBBPN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18ClFN2O3/c17-12-3-1-11(2-4-12)15(21)20-10-13(18)9-14(20)16(22)19-5-7-23-8-6-19/h1-4,13-14H,5-10H2/t13-,14-/m1/s1.
What are the key properties of [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 340.78 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-(4-chlorobenzoyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110876195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).