5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide

C16H15BrN2O3 — CID 84579865

IUPAC5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide
SMILESCn1cc(CCNC(=O)c2ccc(Br)o2)c2cc(O)ccc21
InChIInChI=1S/C16H15BrN2O3/c1-19-9-10(12-8-11(20)2-3-13(12)19)6-7-18-16(21)14-4-5-15(17)22-14/h2-5,8-9,20H,6-7H2,1H3,(H,18,21)
InChIKeyNIGXQESVQIQGRH-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.21
Rot. Bonds4

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

5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 84579865) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide
PubChem CID84579865
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide
SMILESCn1cc(CCNC(=O)c2ccc(Br)o2)c2cc(O)ccc21
InChIInChI=1S/C16H15BrN2O3/c1-19-9-10(12-8-11(20)2-3-13(12)19)6-7-18-16(21)14-4-5-15(17)22-14/h2-5,8-9,20H,6-7H2,1H3,(H,18,21)
InChIKeyNIGXQESVQIQGRH-UHFFFAOYSA-N
XLogP3.21
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide (CID 84579865) is 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide is Cn1cc(CCNC(=O)c2ccc(Br)o2)c2cc(O)ccc21.
What is the InChIKey of 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is NIGXQESVQIQGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-19-9-10(12-8-11(20)2-3-13(12)19)6-7-18-16(21)14-4-5-15(17)22-14/h2-5,8-9,20H,6-7H2,1H3,(H,18,21).
What are the key properties of 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 363.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 84579865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).