2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone

C19H20ClNO — CID 50747303

IUPAC2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-14-5-2-3-6-17(14)18-7-4-12-21(18)19(22)13-15-8-10-16(20)11-9-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3
InChIKeySBGGLACIUPATOB-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.55
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747303) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747303
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-14-5-2-3-6-17(14)18-7-4-12-21(18)19(22)13-15-8-10-16(20)11-9-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3
InChIKeySBGGLACIUPATOB-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 50747303) is 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccccc1C1CCCN1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SBGGLACIUPATOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-14-5-2-3-6-17(14)18-7-4-12-21(18)19(22)13-15-8-10-16(20)11-9-15/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 313.83 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).