N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide

C13H17BrN2O3 — CID 47352466

IUPACN-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C13H17BrN2O3/c1-8-6-10(14)19-12(8)13(18)16(7-11(15)17)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,15,17)
InChIKeyXJBYLJFIYKXURX-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.22
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide

N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide (PubChem CID 47352466) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide
PubChem CID47352466
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC NameN-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C13H17BrN2O3/c1-8-6-10(14)19-12(8)13(18)16(7-11(15)17)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,15,17)
InChIKeyXJBYLJFIYKXURX-UHFFFAOYSA-N
XLogP2.22
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 47212500
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110895265
N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide
CID 56817946
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(propan-2-ylamino)acetamide
CID 54871672
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide
CID 47212490
2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide
CID 115903836
5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide
CID 61110216
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 60539936
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 65354599
5-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide (CID 47352466) is N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide?
The InChIKey is XJBYLJFIYKXURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-8-6-10(14)19-12(8)13(18)16(7-11(15)17)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide has a molecular weight of 329.19 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-bromo-N-cyclopentyl-3-methylfuran-2-carboxamide is sourced from PubChem (CID 47352466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).