(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone

C11H11BrClNO — CID 172646480

IUPAC(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C11H11BrClNO/c1-7-5-14(6-7)11(15)8-2-3-9(12)10(13)4-8/h2-4,7H,5-6H2,1H3
InChIKeyRDJHDZJROYADNL-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.19
Rot. Bonds1

About (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone

(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone (PubChem CID 172646480) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
PubChem CID172646480
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C11H11BrClNO/c1-7-5-14(6-7)11(15)8-2-3-9(12)10(13)4-8/h2-4,7H,5-6H2,1H3
InChIKeyRDJHDZJROYADNL-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 81002489
(4-bromo-3-chlorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 81049506
(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 80979556
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
CID 81295410
(4-bromo-3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 80980338
1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
CID 113259113
6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
CID 80952645
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone (CID 172646480) is (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone?
The InChIKey is RDJHDZJROYADNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-7-5-14(6-7)11(15)8-2-3-9(12)10(13)4-8/h2-4,7H,5-6H2,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone?
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone has a molecular weight of 288.57 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 172646480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).