1-(1-benzyl-3-phenylazetidin-2-yl)ethanone

C18H19NO — CID 86209046

IUPAC1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
SMILESCC(=O)C1C(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14(20)18-17(16-10-6-3-7-11-16)13-19(18)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3
InChIKeyVVSQHLJWKRDRRA-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.24
Rot. Bonds4

About 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone

1-(1-benzyl-3-phenylazetidin-2-yl)ethanone (PubChem CID 86209046) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
PubChem CID86209046
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
SMILESCC(=O)C1C(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14(20)18-17(16-10-6-3-7-11-16)13-19(18)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3
InChIKeyVVSQHLJWKRDRRA-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
1-[(2S,3S)-1-benzyl-3-phenylaziridin-2-yl]ethanone
CID 23243955
(2S,3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-phenylazetidine-2-carboxylic acid
CID 167796195
[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium
CID 11420719
(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine
CID 101250941
(2S,3S,4S)-1-benzyl-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 11658718
3-acetyl-1-benzylazetidin-2-one
CID 13222627
(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine
CID 101385103
[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]methyl methanesulfonate
CID 101250953
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol
CID 101349406
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone?
The IUPAC name of 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone (CID 86209046) is 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone is CC(=O)C1C(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone?
The InChIKey is VVSQHLJWKRDRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(20)18-17(16-10-6-3-7-11-16)13-19(18)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3.
What are the key properties of 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone?
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-phenylazetidin-2-yl)ethanone is sourced from PubChem (CID 86209046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).