[2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone

C19H17NO3 — CID 21106951

IUPAC[2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(CO)o1)c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H17NO3/c21-13-15-10-11-18(23-15)19(22)16-8-4-5-9-17(16)20-12-14-6-2-1-3-7-14/h1-11,20-21H,12-13H2
InChIKeyWIBZGXBSPOHNSD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.62
Rot. Bonds6

About [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone

[2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone (PubChem CID 21106951) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone
PubChem CID21106951
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(CO)o1)c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H17NO3/c21-13-15-10-11-18(23-15)19(22)16-8-4-5-9-17(16)20-12-14-6-2-1-3-7-14/h1-11,20-21H,12-13H2
InChIKeyWIBZGXBSPOHNSD-UHFFFAOYSA-N
XLogP3.62
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The IUPAC name of [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone (CID 21106951) is [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The canonical SMILES for [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone is O=C(c1ccc(CO)o1)c1ccccc1NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The InChIKey is WIBZGXBSPOHNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-13-15-10-11-18(23-15)19(22)16-8-4-5-9-17(16)20-12-14-6-2-1-3-7-14/h1-11,20-21H,12-13H2.
What are the key properties of [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone?
[2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone has a molecular weight of 307.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)phenyl]-[5-(hydroxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 21106951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).