[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone

C17H17NO — CID 24724838

IUPAC[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(CN2CCC2)c1
InChIInChI=1S/C17H17NO/c19-17(15-7-2-1-3-8-15)16-9-4-6-14(12-16)13-18-10-5-11-18/h1-4,6-9,12H,5,10-11,13H2
InChIKeyZEBXYFDLWPDUCZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.12
Rot. Bonds4

About [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone

[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone (PubChem CID 24724838) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
PubChem CID24724838
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(CN2CCC2)c1
InChIInChI=1S/C17H17NO/c19-17(15-7-2-1-3-8-15)16-9-4-6-14(12-16)13-18-10-5-11-18/h1-4,6-9,12H,5,10-11,13H2
InChIKeyZEBXYFDLWPDUCZ-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24724847
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 24724815
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
3-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028806
3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822
4-[3-[[5,9-bis[[3-(4,4,4-trifluoro-1-hydroxy-3-oxobut-1-enyl)phenyl]methyl]-1,5,9-triazacyclododec-1-yl]methyl]phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 162586041

Frequently Asked Questions

What is the IUPAC name of [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone?
The IUPAC name of [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone (CID 24724838) is [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(CN2CCC2)c1.
What is the InChIKey of [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone?
The InChIKey is ZEBXYFDLWPDUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(15-7-2-1-3-8-15)16-9-4-6-14(12-16)13-18-10-5-11-18/h1-4,6-9,12H,5,10-11,13H2.
What are the key properties of [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone?
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone has a molecular weight of 251.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 24724838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).