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

C17H17NO — CID 24725290

IUPAC[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CN1CCC1
InChIInChI=1S/C17H17NO/c19-17(14-7-2-1-3-8-14)16-10-5-4-9-15(16)13-18-11-6-12-18/h1-5,7-10H,6,11-13H2
InChIKeyFARAWTANSKKZGO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.12
Rot. Bonds4

About [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone

[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone (PubChem CID 24725290) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
PubChem CID24725290
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CN1CCC1
InChIInChI=1S/C17H17NO/c19-17(14-7-2-1-3-8-14)16-10-5-4-9-15(16)13-18-11-6-12-18/h1-5,7-10H,6,11-13H2
InChIKeyFARAWTANSKKZGO-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

[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
2-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24725297
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 107223479
[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 24725330
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone (CID 24725290) is [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1CN1CCC1.
What is the InChIKey of [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone?
The InChIKey is FARAWTANSKKZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(14-7-2-1-3-8-14)16-10-5-4-9-15(16)13-18-11-6-12-18/h1-5,7-10H,6,11-13H2.
What are the key properties of [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone?
[2-(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 [2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 24725290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).