(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

C18H18FNO — CID 24724346

IUPAC(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H18FNO/c19-17-9-7-16(8-10-17)18(21)15-5-3-14(4-6-15)13-20-11-1-2-12-20/h3-10H,1-2,11-13H2
InChIKeyXTWABMVCOMCJPO-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.65
Rot. Bonds4

About (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724346) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID24724346
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H18FNO/c19-17-9-7-16(8-10-17)18(21)15-5-3-14(4-6-15)13-20-11-1-2-12-20/h3-10H,1-2,11-13H2
InChIKeyXTWABMVCOMCJPO-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone
CID 24724427
(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724364
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108739319
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 38535028
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
CID 18779900

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 24724346) is (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is XTWABMVCOMCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-9-7-16(8-10-17)18(21)15-5-3-14(4-6-15)13-20-11-1-2-12-20/h3-10H,1-2,11-13H2.
What are the key properties of (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 283.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).