2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide

C13H17BrClN3O — CID 81493975

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
SMILESNCC1CCCN1CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClN3O/c14-9-3-4-12(11(15)6-9)17-13(19)8-18-5-1-2-10(18)7-16/h3-4,6,10H,1-2,5,7-8,16H2,(H,17,19)
InChIKeyYOOIFHXCXSJPFZ-UHFFFAOYSA-N
MW346.66 g/mol
LogP2.46
Rot. Bonds4

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide (PubChem CID 81493975) has the molecular formula C13H17BrClN3O and a molecular weight of 346.66 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
PubChem CID81493975
Molecular FormulaC13H17BrClN3O
Molecular Weight346.66 g/mol
Exact Mass345.02
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
SMILESNCC1CCCN1CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClN3O/c14-9-3-4-12(11(15)6-9)17-13(19)8-18-5-1-2-10(18)7-16/h3-4,6,10H,1-2,5,7-8,16H2,(H,17,19)
InChIKeyYOOIFHXCXSJPFZ-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637305
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(2-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928409
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
CID 119925697
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788356
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119926906
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide
CID 103441963
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 103441586
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide (CID 81493975) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide is NCC1CCCN1CC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide?
The InChIKey is YOOIFHXCXSJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3O/c14-9-3-4-12(11(15)6-9)17-13(19)8-18-5-1-2-10(18)7-16/h3-4,6,10H,1-2,5,7-8,16H2,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide has a molecular weight of 346.66 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide is sourced from PubChem (CID 81493975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).