(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone

C24H22FNO — CID 1481125

IUPAC(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone
SMILESCc1ccc([C@@H]2CN(c3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FNO/c1-17-7-9-18(10-8-17)22-15-26(21-5-3-2-4-6-21)16-23(22)24(27)19-11-13-20(25)14-12-19/h2-14,22-23H,15-16H2,1H3/t22-,23+/m0/s1
InChIKeyQZYGLNHINUUFHC-XZOQPEGZSA-N
MW359.44 g/mol
LogP5.24
Rot. Bonds4

About (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone

(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone (PubChem CID 1481125) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone
PubChem CID1481125
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Name(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone
SMILESCc1ccc([C@@H]2CN(c3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FNO/c1-17-7-9-18(10-8-17)22-15-26(21-5-3-2-4-6-21)16-23(22)24(27)19-11-13-20(25)14-12-19/h2-14,22-23H,15-16H2,1H3/t22-,23+/m0/s1
InChIKeyQZYGLNHINUUFHC-XZOQPEGZSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 11875067
methyl (3R,4R)-4-(4-methylbenzoyl)-1-phenylpyrrolidine-3-carboxylate
CID 1484818
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130
ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 157444216
[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 46062656
(3S,4R)-N-[(4-fluorophenyl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148505
4-[1-(4-fluorophenyl)-3-(4-methylphenyl)imidazolidine-4-carbonyl]benzonitrile
CID 102495954
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579
[1-(4-fluorobenzoyl)-4-(4-methylphenyl)pyrrolidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42680503
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
(3S,4R)-4-(4-fluorophenyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 138628333

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone (CID 1481125) is (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone is Cc1ccc([C@@H]2CN(c3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone?
The InChIKey is QZYGLNHINUUFHC-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H22FNO/c1-17-7-9-18(10-8-17)22-15-26(21-5-3-2-4-6-21)16-23(22)24(27)19-11-13-20(25)14-12-19/h2-14,22-23H,15-16H2,1H3/t22-,23+/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone?
(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone has a molecular weight of 359.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 1481125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).