(2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone

C18H17F2NO — CID 20895564

IUPAC(2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H17F2NO/c1-12-7-9-13(10-8-12)16-6-3-11-21(16)18(22)17-14(19)4-2-5-15(17)20/h2,4-5,7-10,16H,3,6,11H2,1H3
InChIKeyYJOVVPVCYLOOPV-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.25
Rot. Bonds2

About (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone

(2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 20895564) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID20895564
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H17F2NO/c1-12-7-9-13(10-8-12)16-6-3-11-21(16)18(22)17-14(19)4-2-5-15(17)20/h2,4-5,7-10,16H,3,6,11H2,1H3
InChIKeyYJOVVPVCYLOOPV-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N,N-Diethyl-p-toluamide
CID 75946
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659
Alpha-D2PV
CID 33957
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
4-benzoyl-N,N-diethylbenzamide
CID 755990

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 20895564) is (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc(C2CCCN2C(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is YJOVVPVCYLOOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c1-12-7-9-13(10-8-12)16-6-3-11-21(16)18(22)17-14(19)4-2-5-15(17)20/h2,4-5,7-10,16H,3,6,11H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 301.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 20895564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).