(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone

C11H10Br2ClNO — CID 80677503

IUPAC(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC(Br)C1
InChIInChI=1S/C11H10Br2ClNO/c12-7-1-2-10(14)9(5-7)11(16)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6H2
InChIKeyFPCHPVQUWIUMPZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.71
Rot. Bonds1

About (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone (PubChem CID 80677503) has the molecular formula C11H10Br2ClNO and a molecular weight of 367.47 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
PubChem CID80677503
Molecular FormulaC11H10Br2ClNO
Molecular Weight367.47 g/mol
Exact Mass364.88
IUPAC Name(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC(Br)C1
InChIInChI=1S/C11H10Br2ClNO/c12-7-1-2-10(14)9(5-7)11(16)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6H2
InChIKeyFPCHPVQUWIUMPZ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-bromo-2-chlorophenyl)-(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

(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662663
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 95271389
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(5-bromo-2-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113268886
(5-bromo-2-chlorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638411
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(3-bromopiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941058
(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677696

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone (CID 80677503) is (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CCC(Br)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone?
The InChIKey is FPCHPVQUWIUMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClNO/c12-7-1-2-10(14)9(5-7)11(16)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone has a molecular weight of 367.47 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone is sourced from PubChem (CID 80677503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).