2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide

C11H11BrN2O2 — CID 106898976

IUPAC2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
SMILESO=C(NCCn1cccc1)c1ccoc1Br
InChIInChI=1S/C11H11BrN2O2/c12-10-9(3-8-16-10)11(15)13-4-7-14-5-1-2-6-14/h1-3,5-6,8H,4,7H2,(H,13,15)
InChIKeyLDNLIBWPHHRWAJ-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.27
Rot. Bonds4

About 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide

2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide (PubChem CID 106898976) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
PubChem CID106898976
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
SMILESO=C(NCCn1cccc1)c1ccoc1Br
InChIInChI=1S/C11H11BrN2O2/c12-10-9(3-8-16-10)11(15)13-4-7-14-5-1-2-6-14/h1-3,5-6,8H,4,7H2,(H,13,15)
InChIKeyLDNLIBWPHHRWAJ-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

2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
2-bromo-N-(3-bromopentyl)furan-3-carboxamide
CID 106856213
2-amino-5-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 106391087
2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106898564
2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
CID 106852683

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide (CID 106898976) is 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide is O=C(NCCn1cccc1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide?
The InChIKey is LDNLIBWPHHRWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-10-9(3-8-16-10)11(15)13-4-7-14-5-1-2-6-14/h1-3,5-6,8H,4,7H2,(H,13,15).
What are the key properties of 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide?
2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-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 2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 106898976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).