1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea

C19H26FN3O2 — CID 3530643

IUPAC1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea
SMILESCCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C19H26FN3O2/c1-3-5-12-23(4-2)14-18-11-10-17(25-18)13-21-19(24)22-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyZOOAYZKCGLVUPH-UHFFFAOYSA-N
MW347.43 g/mol
LogP4.36
Rot. Bonds9

About 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea

1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea (PubChem CID 3530643) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea
PubChem CID3530643
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea
SMILESCCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)o1
InChIInChI=1S/C19H26FN3O2/c1-3-5-12-23(4-2)14-18-11-10-17(25-18)13-21-19(24)22-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyZOOAYZKCGLVUPH-UHFFFAOYSA-N
XLogP4.36
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea (CID 3530643) is 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea is CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)o1.
What is the InChIKey of 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea?
The InChIKey is ZOOAYZKCGLVUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-5-12-23(4-2)14-18-11-10-17(25-18)13-21-19(24)22-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea?
1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea has a molecular weight of 347.43 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 3530643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).