5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide

C11H11BrN2O2 — CID 110742704

IUPAC5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCn1cccc1)c1ccc(Br)o1
InChIInChI=1S/C11H11BrN2O2/c12-10-4-3-9(16-10)11(15)13-5-8-14-6-1-2-7-14/h1-4,6-7H,5,8H2,(H,13,15)
InChIKeyJRQGSMUEWVQTAK-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.27
Rot. Bonds4

About 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide

5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide (PubChem CID 110742704) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
PubChem CID110742704
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCn1cccc1)c1ccc(Br)o1
InChIInChI=1S/C11H11BrN2O2/c12-10-4-3-9(16-10)11(15)13-5-8-14-6-1-2-7-14/h1-4,6-7H,5,8H2,(H,13,15)
InChIKeyJRQGSMUEWVQTAK-UHFFFAOYSA-N
XLogP2.27
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
CID 106898976
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
CID 29195593
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686
5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
CID 91818533
5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91947819
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide (CID 110742704) is 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide is O=C(NCCn1cccc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide?
The InChIKey is JRQGSMUEWVQTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-10-4-3-9(16-10)11(15)13-5-8-14-6-1-2-7-14/h1-4,6-7H,5,8H2,(H,13,15).
What are the key properties of 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide?
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide has a molecular weight of 283.12 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 110742704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).