(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone

C10H10BrClN2O — CID 107990480

IUPAC(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
SMILESNC1CN(C(=O)c2ccc(Cl)cc2Br)C1
InChIInChI=1S/C10H10BrClN2O/c11-9-3-6(12)1-2-8(9)10(15)14-4-7(13)5-14/h1-3,7H,4-5,13H2
InChIKeyIXPOHJRGPNQEIM-UHFFFAOYSA-N
MW289.56 g/mol
LogP1.89
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone

(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone (PubChem CID 107990480) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
PubChem CID107990480
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
SMILESNC1CN(C(=O)c2ccc(Cl)cc2Br)C1
InChIInChI=1S/C10H10BrClN2O/c11-9-3-6(12)1-2-8(9)10(15)14-4-7(13)5-14/h1-3,7H,4-5,13H2
InChIKeyIXPOHJRGPNQEIM-UHFFFAOYSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 103807096
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119592450
(2-bromo-4-chlorophenyl)-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 107994318
(2-bromo-4-chlorophenyl)-[3-(2-chloroethyl)piperidin-1-yl]methanone
CID 107993644
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515
(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
CID 167530261
1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107992513
3-[1-(2-bromo-4-chlorobenzoyl)piperidin-4-yl]propanoic acid
CID 107986609
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103766520
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103840455

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone (CID 107990480) is (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone is NC1CN(C(=O)c2ccc(Cl)cc2Br)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone?
The InChIKey is IXPOHJRGPNQEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c11-9-3-6(12)1-2-8(9)10(15)14-4-7(13)5-14/h1-3,7H,4-5,13H2.
What are the key properties of (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone?
(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone has a molecular weight of 289.56 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone is sourced from PubChem (CID 107990480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).