2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide

C17H17N3O2 — CID 650785

IUPAC2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
SMILESO=C(CNCc1ccco1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C17H17N3O2/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20/h1-11,18H,12-13H2,(H,19,21)
InChIKeyWFMVTIBCFZGXPK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.80
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide

2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide (PubChem CID 650785) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
PubChem CID650785
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
SMILESO=C(CNCc1ccco1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C17H17N3O2/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20/h1-11,18H,12-13H2,(H,19,21)
InChIKeyWFMVTIBCFZGXPK-UHFFFAOYSA-N
XLogP2.80
TPSA59.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide (CID 650785) is 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide is O=C(CNCc1ccco1)Nc1ccccc1-n1cccc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide?
The InChIKey is WFMVTIBCFZGXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20/h1-11,18H,12-13H2,(H,19,21).
What are the key properties of 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide?
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 650785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).