(2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone

C17H15BrFNO — CID 166183980

IUPAC(2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC2c2cccc(F)c2)c(Br)c1
InChIInChI=1S/C17H15BrFNO/c1-11-5-6-14(15(18)9-11)17(21)20-8-7-16(20)12-3-2-4-13(19)10-12/h2-6,9-10,16H,7-8H2,1H3
InChIKeyNBCQPAMVJZRYKS-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.48
Rot. Bonds2

About (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone

(2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone (PubChem CID 166183980) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone
PubChem CID166183980
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC2c2cccc(F)c2)c(Br)c1
InChIInChI=1S/C17H15BrFNO/c1-11-5-6-14(15(18)9-11)17(21)20-8-7-16(20)12-3-2-4-13(19)10-12/h2-6,9-10,16H,7-8H2,1H3
InChIKeyNBCQPAMVJZRYKS-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
CID 125158443
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(3-fluorophenyl)azetidin-1-yl]ethanone
CID 136529373
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 91838120
4-chloro-3-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 166193513
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone?
The IUPAC name of (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone (CID 166183980) is (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC2c2cccc(F)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone?
The InChIKey is NBCQPAMVJZRYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-11-5-6-14(15(18)9-11)17(21)20-8-7-16(20)12-3-2-4-13(19)10-12/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone?
(2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone has a molecular weight of 348.22 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 166183980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).