N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide

C7H7BrN2O3 — CID 130634636

IUPACN-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide
SMILESNC(=O)CNC(=O)c1occc1Br
InChIInChI=1S/C7H7BrN2O3/c8-4-1-2-13-6(4)7(12)10-3-5(9)11/h1-2H,3H2,(H2,9,11)(H,10,12)
InChIKeyBNPBAPOTGAGFRB-UHFFFAOYSA-N
MW247.05 g/mol
LogP0.26
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide

N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide (PubChem CID 130634636) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide
PubChem CID130634636
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC NameN-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide
SMILESNC(=O)CNC(=O)c1occc1Br
InChIInChI=1S/C7H7BrN2O3/c8-4-1-2-13-6(4)7(12)10-3-5(9)11/h1-2H,3H2,(H2,9,11)(H,10,12)
InChIKeyBNPBAPOTGAGFRB-UHFFFAOYSA-N
XLogP0.26
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Acetyl 1-(2-furoyl)piperazine
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3-[(5-Bromo-furan-2-carbonyl)-amino]-propionic acid
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N-(2-Furoyl)glycine methyl ester
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5-bromo-N-cycloheptylfuran-2-carboxamide
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CID 304848
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CID 25093405
5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
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fur-2-oyl-Val-N(Et)Gly-NHiPr
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide (CID 130634636) is N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide is NC(=O)CNC(=O)c1occc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide?
The InChIKey is BNPBAPOTGAGFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c8-4-1-2-13-6(4)7(12)10-3-5(9)11/h1-2H,3H2,(H2,9,11)(H,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide?
N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide has a molecular weight of 247.05 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide is sourced from PubChem (CID 130634636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).