1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea

C26H21N3O3 — CID 60577721

IUPAC1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C26H21N3O3/c27-17-21-9-4-5-11-25(21)32-23-14-12-22(13-15-23)28-26(30)29(19-24-10-6-16-31-24)18-20-7-2-1-3-8-20/h1-16H,18-19H2,(H,28,30)
InChIKeyLSDQLOYFBSAFPC-UHFFFAOYSA-N
MW423.47 g/mol
LogP6.18
Rot. Bonds7

About 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea

1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea (PubChem CID 60577721) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
PubChem CID60577721
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C26H21N3O3/c27-17-21-9-4-5-11-25(21)32-23-14-12-22(13-15-23)28-26(30)29(19-24-10-6-16-31-24)18-20-7-2-1-3-8-20/h1-16H,18-19H2,(H,28,30)
InChIKeyLSDQLOYFBSAFPC-UHFFFAOYSA-N
XLogP6.18
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea 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 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea (CID 60577721) is 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea is N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is LSDQLOYFBSAFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c27-17-21-9-4-5-11-25(21)32-23-14-12-22(13-15-23)28-26(30)29(19-24-10-6-16-31-24)18-20-7-2-1-3-8-20/h1-16H,18-19H2,(H,28,30).
What are the key properties of 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea?
1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 423.47 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 60577721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).