(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C13H15Br2NO — CID 103883074

IUPAC(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)cc2Br)CC1C
InChIInChI=1S/C13H15Br2NO/c1-8-6-16(7-9(8)2)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXHPJJVZVFKLVSX-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.94
Rot. Bonds1

About (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 103883074) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID103883074
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)cc2Br)CC1C
InChIInChI=1S/C13H15Br2NO/c1-8-6-16(7-9(8)2)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXHPJJVZVFKLVSX-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)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-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871773
(3-bromopiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941058
(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 17446861
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
(4-bromo-2-fluorophenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026053
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730
(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 114018454
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 103883074) is (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)c2ccc(Br)cc2Br)CC1C.
What is the InChIKey of (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is XHPJJVZVFKLVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-8-6-16(7-9(8)2)13(17)11-4-3-10(14)5-12(11)15/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 361.08 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103883074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).