[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone

C24H22ClNO2 — CID 11875067

IUPAC[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)[C@H]2CN(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClNO2/c1-28-21-13-9-18(10-14-21)24(27)23-16-26(20-5-3-2-4-6-20)15-22(23)17-7-11-19(25)12-8-17/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1
InChIKeyPOHZPKFPJZULFY-PKTZIBPZSA-N
MW391.90 g/mol
LogP5.45
Rot. Bonds5

About [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone

[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 11875067) has the molecular formula C24H22ClNO2 and a molecular weight of 391.90 g/mol. Its IUPAC name is [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID11875067
Molecular FormulaC24H22ClNO2
Molecular Weight391.90 g/mol
Exact Mass391.13
IUPAC Name[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)[C@H]2CN(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClNO2/c1-28-21-13-9-18(10-14-21)24(27)23-16-26(20-5-3-2-4-6-20)15-22(23)17-7-11-19(25)12-8-17/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1
InChIKeyPOHZPKFPJZULFY-PKTZIBPZSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone
CID 1481125
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
methyl (3R,4R)-4-(4-methylbenzoyl)-1-phenylpyrrolidine-3-carboxylate
CID 1484818
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-(3-methoxyphenyl)methanone
CID 1471626
4-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid
CID 135307106
1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
1-tert-butyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 72815396
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 5441845
trans-(1S,2S)-2-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 36688340

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone (CID 11875067) is [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)[C@H]2CN(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is POHZPKFPJZULFY-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H22ClNO2/c1-28-21-13-9-18(10-14-21)24(27)23-16-26(20-5-3-2-4-6-20)15-22(23)17-7-11-19(25)12-8-17/h2-14,22-23H,15-16H2,1H3/t22-,23+/m1/s1.
What are the key properties of [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone?
[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 391.90 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11875067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).