(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C11H11BrClNO2 — CID 81002096

IUPAC(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C11H11BrClNO2/c12-9-2-1-7(5-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2/t8-/m1/s1
InChIKeyQGNOYEWFXYMJBG-MRVPVSSYSA-N
MW304.57 g/mol
LogP2.31
Rot. Bonds1

About (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 81002096) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID81002096
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C11H11BrClNO2/c12-9-2-1-7(5-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2/t8-/m1/s1
InChIKeyQGNOYEWFXYMJBG-MRVPVSSYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
CID 113259113
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-bromo-3-chlorophenyl)methanone
CID 81005040
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(4-bromo-3-chlorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 81049506

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 81002096) is (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1ccc(Br)c(Cl)c1)N1CC[C@@H](O)C1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QGNOYEWFXYMJBG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c12-9-2-1-7(5-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2/t8-/m1/s1.
What are the key properties of (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 304.57 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 81002096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).