5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide

C13H12BrNO3 — CID 82124888

IUPAC5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESO=C(NCCO)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C13H12BrNO3/c14-10-4-2-1-3-9(10)11-5-6-12(18-11)13(17)15-7-8-16/h1-6,16H,7-8H2,(H,15,17)
InChIKeyZEWPSUYOSBHOIU-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.43
Rot. Bonds4

About 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide

5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide (PubChem CID 82124888) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
PubChem CID82124888
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESO=C(NCCO)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C13H12BrNO3/c14-10-4-2-1-3-9(10)11-5-6-12(18-11)13(17)15-7-8-16/h1-6,16H,7-8H2,(H,15,17)
InChIKeyZEWPSUYOSBHOIU-UHFFFAOYSA-N
XLogP2.43
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide?
The IUPAC name of 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide (CID 82124888) is 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide is O=C(NCCO)c1ccc(-c2ccccc2Br)o1.
What is the InChIKey of 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide?
The InChIKey is ZEWPSUYOSBHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c14-10-4-2-1-3-9(10)11-5-6-12(18-11)13(17)15-7-8-16/h1-6,16H,7-8H2,(H,15,17).
What are the key properties of 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide?
5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide is sourced from PubChem (CID 82124888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).