3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one

C19H18Cl2FNO — CID 55688097

IUPAC3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1cccc(Cl)c1Cl)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C19H18Cl2FNO/c20-16-4-1-3-14(19(16)21)8-11-18(24)23-12-2-5-17(23)13-6-9-15(22)10-7-13/h1,3-4,6-7,9-10,17H,2,5,8,11-12H2
InChIKeyDECDXGWIIXSHCP-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.43
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one

3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 55688097) has the molecular formula C19H18Cl2FNO and a molecular weight of 366.26 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID55688097
Molecular FormulaC19H18Cl2FNO
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1cccc(Cl)c1Cl)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C19H18Cl2FNO/c20-16-4-1-3-14(19(16)21)8-11-18(24)23-12-2-5-17(23)13-6-9-15(22)10-7-13/h1,3-4,6-7,9-10,17H,2,5,8,11-12H2
InChIKeyDECDXGWIIXSHCP-UHFFFAOYSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one (CID 55688097) is 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one is O=C(CCc1cccc(Cl)c1Cl)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is DECDXGWIIXSHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FNO/c20-16-4-1-3-14(19(16)21)8-11-18(24)23-12-2-5-17(23)13-6-9-15(22)10-7-13/h1,3-4,6-7,9-10,17H,2,5,8,11-12H2.
What are the key properties of 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one?
3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 366.26 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 55688097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).