1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone

C24H22ClNO — CID 58315701

IUPAC1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(C2CCN(c3ccccc3)C2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClNO/c25-22-12-10-20(11-13-22)24(27)16-18-6-8-19(9-7-18)21-14-15-26(17-21)23-4-2-1-3-5-23/h1-13,21H,14-17H2
InChIKeyCNWSAGZMORGBRF-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.76
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone

1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone (PubChem CID 58315701) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone
PubChem CID58315701
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC Name1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(C2CCN(c3ccccc3)C2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClNO/c25-22-12-10-20(11-13-22)24(27)16-18-6-8-19(9-7-18)21-14-15-26(17-21)23-4-2-1-3-5-23/h1-13,21H,14-17H2
InChIKeyCNWSAGZMORGBRF-UHFFFAOYSA-N
XLogP5.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
4-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725305
1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 59451795
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
1-[5-(4-chlorophenyl)pentyl]-4-phenylpiperidine;1-phenyl-5-(4-phenylpiperidin-1-yl)pentan-1-one
CID 160861580
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
3-(4-bromophenyl)-1-(3-chlorophenyl)pyrrolidine
CID 84610999
(1R)-2-[4-(2-phenylacetyl)phenyl]cyclopropane-1-carboxylic acid
CID 71134933
4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide
CID 62132830
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110358796

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone (CID 58315701) is 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone is O=C(Cc1ccc(C2CCN(c3ccccc3)C2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone?
The InChIKey is CNWSAGZMORGBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO/c25-22-12-10-20(11-13-22)24(27)16-18-6-8-19(9-7-18)21-14-15-26(17-21)23-4-2-1-3-5-23/h1-13,21H,14-17H2.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone?
1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone has a molecular weight of 375.90 g/mol, XLogP of 5.76, 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-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone is sourced from PubChem (CID 58315701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).