4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one

C20H21ClFNO — CID 11325428

IUPAC4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H21ClFNO/c21-18-7-3-15(4-8-18)17-11-13-23(14-17)12-1-2-20(24)16-5-9-19(22)10-6-16/h3-10,17H,1-2,11-14H2
InChIKeyCNHYRFDCZHWNQQ-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.93
Rot. Bonds6

About 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one

4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 11325428) has the molecular formula C20H21ClFNO and a molecular weight of 345.85 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID11325428
Molecular FormulaC20H21ClFNO
Molecular Weight345.85 g/mol
Exact Mass345.13
IUPAC Name4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H21ClFNO/c21-18-7-3-15(4-8-18)17-11-13-23(14-17)12-1-2-20(24)16-5-9-19(22)10-6-16/h3-10,17H,1-2,11-14H2
InChIKeyCNHYRFDCZHWNQQ-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Amiperone
CID 71101
Hptp
CID 171187
4-Chloro-alpha-PVP
CID 69245309
Cloroperone Hydrochloride
CID 41535
1,2-Diphenyl-3-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
CID 107346
Cloroperone
CID 41536
4'-Chloro-alpha-pyrrolidinopropiophenone
CID 43227582
N-(1-Phenylpropionyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 3083457
4-[6-(4-Chlorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-1-(4-fluorophenyl)butan-1-one
CID 155544891
[4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone
CID 4327005
1-(4-Chloro-phenyl)-3-[4-(4-chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propan-1-one
CID 10948383
4-[3-(4-Chlorophenyl)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 11199716

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one (CID 11325428) is 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one is O=C(CCCN1CCC(c2ccc(Cl)cc2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is CNHYRFDCZHWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO/c21-18-7-3-15(4-8-18)17-11-13-23(14-17)12-1-2-20(24)16-5-9-19(22)10-6-16/h3-10,17H,1-2,11-14H2.
What are the key properties of 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 345.85 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 11325428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).