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

C17H15Cl2NO — CID 24725330

IUPAC[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCC1
InChIInChI=1S/C17H15Cl2NO/c18-13-6-7-15(16(19)10-13)17(21)14-5-2-1-4-12(14)11-20-8-3-9-20/h1-2,4-7,10H,3,8-9,11H2
InChIKeyMEGWFNVMTPGHDB-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.43
Rot. Bonds4

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

[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone (PubChem CID 24725330) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is [2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
PubChem CID24725330
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCC1
InChIInChI=1S/C17H15Cl2NO/c18-13-6-7-15(16(19)10-13)17(21)14-5-2-1-4-12(14)11-20-8-3-9-20/h1-2,4-7,10H,3,8-9,11H2
InChIKeyMEGWFNVMTPGHDB-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
2-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24725297
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
5-chloro-2-(pyrrolidin-1-ylmethyl)benzoic acid
CID 117220861
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide
CID 2321281
(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24725377
5-chloro-2-(piperidin-1-ylmethyl)benzoic acid
CID 117220873

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone (CID 24725330) is [2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCC1.
What is the InChIKey of [2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone?
The InChIKey is MEGWFNVMTPGHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-13-6-7-15(16(19)10-13)17(21)14-5-2-1-4-12(14)11-20-8-3-9-20/h1-2,4-7,10H,3,8-9,11H2.
What are the key properties of [2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone?
[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone has a molecular weight of 320.22 g/mol, XLogP of 4.43, 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]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 24725330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).