1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one

C19H19ClFNO — CID 87028059

IUPAC1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
SMILESO=C(CCc1cccc(F)c1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C19H19ClFNO/c20-17-8-2-1-7-16(17)18-9-4-12-22(18)19(23)11-10-14-5-3-6-15(21)13-14/h1-3,5-8,13,18H,4,9-12H2
InChIKeyADUGLGSOULBQEP-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.78
Rot. Bonds4

About 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one (PubChem CID 87028059) has the molecular formula C19H19ClFNO and a molecular weight of 331.82 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
PubChem CID87028059
Molecular FormulaC19H19ClFNO
Molecular Weight331.82 g/mol
Exact Mass331.11
IUPAC Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
SMILESO=C(CCc1cccc(F)c1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C19H19ClFNO/c20-17-8-2-1-7-16(17)18-9-4-12-22(18)19(23)11-10-14-5-3-6-15(21)13-14/h1-3,5-8,13,18H,4,9-12H2
InChIKeyADUGLGSOULBQEP-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one (CID 87028059) is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one is O=C(CCc1cccc(F)c1)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one?
The InChIKey is ADUGLGSOULBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO/c20-17-8-2-1-7-16(17)18-9-4-12-22(18)19(23)11-10-14-5-3-6-15(21)13-14/h1-3,5-8,13,18H,4,9-12H2.
What are the key properties of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one?
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one has a molecular weight of 331.82 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 87028059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).