(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

C15H18BrClN2O — CID 95271389

IUPAC(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C15H18BrClN2O/c16-11-3-4-14(17)13(9-11)15(20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2/t12-/m1/s1
InChIKeyHWJFLFXOONUTNR-GFCCVEGCSA-N
MW357.68 g/mol
LogP3.41
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 95271389) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID95271389
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC Name(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C15H18BrClN2O/c16-11-3-4-14(17)13(9-11)15(20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2/t12-/m1/s1
InChIKeyHWJFLFXOONUTNR-GFCCVEGCSA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-sulfanylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107029368
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(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(5-bromo-2-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
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CID 103882570
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
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(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-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (CID 95271389) is (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](N2CCCC2)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is HWJFLFXOONUTNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18BrClN2O/c16-11-3-4-14(17)13(9-11)15(20)19-8-5-12(10-19)18-6-1-2-7-18/h3-4,9,12H,1-2,5-8,10H2/t12-/m1/s1.
What are the key properties of (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 357.68 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95271389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).