N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide

C9H12BrN3O3 — CID 108873032

IUPACN-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc(Br)o1
InChIInChI=1S/C9H12BrN3O3/c1-6(14)13(5-4-11)9(15)12-8-3-2-7(10)16-8/h2-3H,4-5,11H2,1H3,(H,12,15)
InChIKeyVKQZCVYTIADOCJ-UHFFFAOYSA-N
MW290.12 g/mol
LogP1.38
Rot. Bonds3

About N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide

N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide (PubChem CID 108873032) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide
PubChem CID108873032
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC NameN-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc(Br)o1
InChIInChI=1S/C9H12BrN3O3/c1-6(14)13(5-4-11)9(15)12-8-3-2-7(10)16-8/h2-3H,4-5,11H2,1H3,(H,12,15)
InChIKeyVKQZCVYTIADOCJ-UHFFFAOYSA-N
XLogP1.38
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide (CID 108873032) is N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide is CC(=O)N(CCN)C(=O)Nc1ccc(Br)o1.
What is the InChIKey of N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide?
The InChIKey is VKQZCVYTIADOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-6(14)13(5-4-11)9(15)12-8-3-2-7(10)16-8/h2-3H,4-5,11H2,1H3,(H,12,15).
What are the key properties of N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide?
N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide has a molecular weight of 290.12 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(5-bromofuran-2-yl)carbamoyl]acetamide is sourced from PubChem (CID 108873032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).