2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide

C12H16BrN3O — CID 119876264

IUPAC2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide
SMILESNCC(=O)NC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrN3O/c13-9-1-3-11(4-2-9)16-6-5-10(8-16)15-12(17)7-14/h1-4,10H,5-8,14H2,(H,15,17)
InChIKeyLZMGHHDKOCRHPT-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide

2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide (PubChem CID 119876264) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide
PubChem CID119876264
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide
SMILESNCC(=O)NC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrN3O/c13-9-1-3-11(4-2-9)16-6-5-10(8-16)15-12(17)7-14/h1-4,10H,5-8,14H2,(H,15,17)
InChIKeyLZMGHHDKOCRHPT-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide (CID 119876264) is 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide is NCC(=O)NC1CCN(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is LZMGHHDKOCRHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-1-3-11(4-2-9)16-6-5-10(8-16)15-12(17)7-14/h1-4,10H,5-8,14H2,(H,15,17).
What are the key properties of 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide?
2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 298.18 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 119876264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).