1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one

C19H20ClNO — CID 3102100

IUPAC1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C19H20ClNO/c20-17-10-8-16(9-11-17)19(22)18(14-21-12-4-5-13-21)15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-14H2
InChIKeyHXKNLFRSCIHHAD-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.40
Rot. Bonds5

About 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one

1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 3102100) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID3102100
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C19H20ClNO/c20-17-10-8-16(9-11-17)19(22)18(14-21-12-4-5-13-21)15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-14H2
InChIKeyHXKNLFRSCIHHAD-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hptp
CID 171187
1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
4-Chloro-alpha-PVP
CID 69245309
1-Propanone, 1-(4-chlorophenyl)-3-(1-piperidinyl)-, hydrochloride
CID 199915
Cloroperone Hydrochloride
CID 41535
1,2-Diphenyl-3-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
CID 107346
1-Propanone, 3-(dimethylamino)-1,2-diphenyl-, hydrochloride
CID 91378
Cloroperone
CID 41536
4'-Chloro-alpha-pyrrolidinopropiophenone
CID 43227582
N-(1-Phenylpropionyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 3083457
[4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone
CID 4327005
(1-But-3-enoylpiperidin-3-yl)(4-chlorophenyl)methanone
CID 23723418

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one (CID 3102100) is 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one is O=C(c1ccc(Cl)cc1)C(CN1CCCC1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HXKNLFRSCIHHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-17-10-8-16(9-11-17)19(22)18(14-21-12-4-5-13-21)15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-14H2.
What are the key properties of 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one?
1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 313.83 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 3102100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).