[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone

C17H15F2NO — CID 24724427

IUPAC[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(CN2CCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F2NO/c18-14-6-7-15(16(19)10-14)17(21)13-4-2-12(3-5-13)11-20-8-1-9-20/h2-7,10H,1,8-9,11H2
InChIKeyIFZKRMONXNTWHT-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.40
Rot. Bonds4

About [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone

[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone (PubChem CID 24724427) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone
PubChem CID24724427
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(CN2CCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F2NO/c18-14-6-7-15(16(19)10-14)17(21)13-4-2-12(3-5-13)11-20-8-1-9-20/h2-7,10H,1,8-9,11H2
InChIKeyIFZKRMONXNTWHT-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724541
(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724364
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 166296875
(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725111
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
2,4-difluoro-N-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]benzamide
CID 55550622
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone (CID 24724427) is [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone is O=C(c1ccc(CN2CCC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone?
The InChIKey is IFZKRMONXNTWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-14-6-7-15(16(19)10-14)17(21)13-4-2-12(3-5-13)11-20-8-1-9-20/h2-7,10H,1,8-9,11H2.
What are the key properties of [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone?
[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone has a molecular weight of 287.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 24724427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).