(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C15H20FNO — CID 106982245

IUPAC(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCc1cc(F)ccc1C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H20FNO/c1-10(2)15(6-7-17-9-15)14(18)13-5-4-12(16)8-11(13)3/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyYXEOGFLINLILOZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.95
Rot. Bonds3

About (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982245) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982245
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCc1cc(F)ccc1C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H20FNO/c1-10(2)15(6-7-17-9-15)14(18)13-5-4-12(16)8-11(13)3/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyYXEOGFLINLILOZ-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982073
(2-methoxy-3,4-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982309
2-(2,5-difluorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982096
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746
(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982097
(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982171
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982245) is (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is Cc1cc(F)ccc1C(=O)C1(C(C)C)CCNC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is YXEOGFLINLILOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10(2)15(6-7-17-9-15)14(18)13-5-4-12(16)8-11(13)3/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 249.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).