5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide

C11H11BrN2O2 — CID 110795686

IUPAC5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1cc[nH]c1)c1ccc(Br)o1
InChIInChI=1S/C11H11BrN2O2/c12-10-2-1-9(16-10)11(15)14-6-4-8-3-5-13-7-8/h1-3,5,7,13H,4,6H2,(H,14,15)
InChIKeyNNGPSQYMUQNFFK-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.34
Rot. Bonds4

About 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 110795686) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
PubChem CID110795686
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1cc[nH]c1)c1ccc(Br)o1
InChIInChI=1S/C11H11BrN2O2/c12-10-2-1-9(16-10)11(15)14-6-4-8-3-5-13-7-8/h1-3,5,7,13H,4,6H2,(H,14,15)
InChIKeyNNGPSQYMUQNFFK-UHFFFAOYSA-N
XLogP2.34
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
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CID 110795401
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
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CID 110665271
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide (CID 110795686) is 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide is O=C(NCCc1cc[nH]c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is NNGPSQYMUQNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-10-2-1-9(16-10)11(15)14-6-4-8-3-5-13-7-8/h1-3,5,7,13H,4,6H2,(H,14,15).
What are the key properties of 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 283.12 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110795686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).