(2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone

C18H18FNO — CID 50747382

IUPAC(2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C18H18FNO/c1-13-7-2-3-8-14(13)17-11-6-12-20(17)18(21)15-9-4-5-10-16(15)19/h2-5,7-10,17H,6,11-12H2,1H3
InChIKeyNCPNJHSCCMVGPL-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.11
Rot. Bonds2

About (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone

(2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747382) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID50747382
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C18H18FNO/c1-13-7-2-3-8-14(13)17-11-6-12-20(17)18(21)15-9-4-5-10-16(15)19/h2-5,7-10,17H,6,11-12H2,1H3
InChIKeyNCPNJHSCCMVGPL-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 50747382) is (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccccc1C1CCCN1C(=O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is NCPNJHSCCMVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-7-2-3-8-14(13)17-11-6-12-20(17)18(21)15-9-4-5-10-16(15)19/h2-5,7-10,17H,6,11-12H2,1H3.
What are the key properties of (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
(2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 283.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).