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

C17H16ClNO — CID 24725308

IUPAC[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1CN1CCC1
InChIInChI=1S/C17H16ClNO/c18-15-8-6-13(7-9-15)17(20)16-5-2-1-4-14(16)12-19-10-3-11-19/h1-2,4-9H,3,10-12H2
InChIKeyLRZLERVOVRFNRL-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.78
Rot. Bonds4

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

[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone (PubChem CID 24725308) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is [2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
PubChem CID24725308
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1CN1CCC1
InChIInChI=1S/C17H16ClNO/c18-15-8-6-13(7-9-15)17(20)16-5-2-1-4-14(16)12-19-10-3-11-19/h1-2,4-9H,3,10-12H2
InChIKeyLRZLERVOVRFNRL-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 24725330
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
2-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24725297
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone (CID 24725308) is [2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccccc1CN1CCC1.
What is the InChIKey of [2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone?
The InChIKey is LRZLERVOVRFNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-15-8-6-13(7-9-15)17(20)16-5-2-1-4-14(16)12-19-10-3-11-19/h1-2,4-9H,3,10-12H2.
What are the key properties of [2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone?
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone has a molecular weight of 285.77 g/mol, XLogP of 3.78, 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]-(4-chlorophenyl)methanone is sourced from PubChem (CID 24725308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).