(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone

C11H11Br2NO — CID 80677696

IUPAC(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(Br)C1
InChIInChI=1S/C11H11Br2NO/c12-9-3-1-2-8(6-9)11(15)14-5-4-10(13)7-14/h1-3,6,10H,4-5,7H2
InChIKeyFSIQGATUBFGZDE-UHFFFAOYSA-N
MW333.02 g/mol
LogP3.06
Rot. Bonds1

About (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone

(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone (PubChem CID 80677696) has the molecular formula C11H11Br2NO and a molecular weight of 333.02 g/mol. Its IUPAC name is (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
PubChem CID80677696
Molecular FormulaC11H11Br2NO
Molecular Weight333.02 g/mol
Exact Mass330.92
IUPAC Name(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(Br)C1
InChIInChI=1S/C11H11Br2NO/c12-9-3-1-2-8(6-9)11(15)14-5-4-10(13)7-14/h1-3,6,10H,4-5,7H2
InChIKeyFSIQGATUBFGZDE-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (3-bromophenyl)-(3-bromopyrrolidin-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

[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-bromophenyl)methanone
CID 49224623
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
(3-bromophenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55187606
[3-(bromomethyl)azetidin-1-yl]-(3-bromophenyl)methanone
CID 130531463
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 71806028
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone (CID 80677696) is (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone is O=C(c1cccc(Br)c1)N1CCC(Br)C1.
What is the InChIKey of (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone?
The InChIKey is FSIQGATUBFGZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO/c12-9-3-1-2-8(6-9)11(15)14-5-4-10(13)7-14/h1-3,6,10H,4-5,7H2.
What are the key properties of (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone?
(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone has a molecular weight of 333.02 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone is sourced from PubChem (CID 80677696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).