(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone

C11H12BrClN2O — CID 62068423

IUPAC(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C11H12BrClN2O/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2
InChIKeyNTYDZVCOOKUCCK-UHFFFAOYSA-N
MW303.59 g/mol
LogP2.28
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone

(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone (PubChem CID 62068423) has the molecular formula C11H12BrClN2O and a molecular weight of 303.59 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
PubChem CID62068423
Molecular FormulaC11H12BrClN2O
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C11H12BrClN2O/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2
InChIKeyNTYDZVCOOKUCCK-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679899
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
[(3S)-3-aminopyrrolidin-1-yl]-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 107333170
(4-bromo-2-chlorophenyl)-[3-(2-bromoethyl)piperidin-1-yl]methanone
CID 80669190
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(4-bromo-2-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627491
(3-aminopyrrolidin-1-yl)-(4-bromo-2-propan-2-yloxyphenyl)methanone
CID 119482640
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone (CID 62068423) is (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone is NC1CCN(C(=O)c2ccc(Br)cc2Cl)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone?
The InChIKey is NTYDZVCOOKUCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O/c12-7-1-2-9(10(13)5-7)11(16)15-4-3-8(14)6-15/h1-2,5,8H,3-4,6,14H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone?
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone has a molecular weight of 303.59 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone is sourced from PubChem (CID 62068423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).