(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone

C18H18FNO — CID 79783331

IUPAC(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3)C2)c(F)c1
InChIInChI=1S/C18H18FNO/c1-13-7-8-16(17(19)11-13)18(21)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyPHQSEIBUPXHWMB-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.76
Rot. Bonds2

About (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone

(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 79783331) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID79783331
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3)C2)c(F)c1
InChIInChI=1S/C18H18FNO/c1-13-7-8-16(17(19)11-13)18(21)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyPHQSEIBUPXHWMB-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342
(2-fluoro-4-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79810538
(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62070029
1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91795304
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 114801515
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
ethyl 1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxylate
CID 79765192
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
(2-fluoro-4-methylphenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128995235

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone (CID 79783331) is (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(c3ccccc3)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is PHQSEIBUPXHWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-7-8-16(17(19)11-13)18(21)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone?
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79783331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).