[furan-2-yl(phenyl)methyl]urea

C12H12N2O2 — CID 14906081

IUPAC[furan-2-yl(phenyl)methyl]urea
SMILESNC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C12H12N2O2/c13-12(15)14-11(10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,11H,(H3,13,14,15)
InChIKeyGCZODUFKURDCCX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.04
Rot. Bonds3

About [furan-2-yl(phenyl)methyl]urea

[furan-2-yl(phenyl)methyl]urea (PubChem CID 14906081) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is [furan-2-yl(phenyl)methyl]urea.

Molecular Properties

Compound Name[furan-2-yl(phenyl)methyl]urea
PubChem CID14906081
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name[furan-2-yl(phenyl)methyl]urea
SMILESNC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C12H12N2O2/c13-12(15)14-11(10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,11H,(H3,13,14,15)
InChIKeyGCZODUFKURDCCX-UHFFFAOYSA-N
XLogP2.04
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [furan-2-yl(phenyl)methyl]urea?
The IUPAC name of [furan-2-yl(phenyl)methyl]urea (CID 14906081) is [furan-2-yl(phenyl)methyl]urea.
What is the SMILES notation for [furan-2-yl(phenyl)methyl]urea?
The canonical SMILES for [furan-2-yl(phenyl)methyl]urea is NC(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of [furan-2-yl(phenyl)methyl]urea?
The InChIKey is GCZODUFKURDCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-12(15)14-11(10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,11H,(H3,13,14,15).
What are the key properties of [furan-2-yl(phenyl)methyl]urea?
[furan-2-yl(phenyl)methyl]urea has a molecular weight of 216.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [furan-2-yl(phenyl)methyl]urea is sourced from PubChem (CID 14906081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).