1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea

C19H14N2O3 — CID 749667

IUPAC1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)Nc1cccc2ccccc12
InChIInChI=1S/C19H14N2O3/c22-18-16-10-14(9-8-13(16)11-24-18)20-19(23)21-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11H2,(H2,20,21,23)
InChIKeyKEWRZZASCVMIEP-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.15
Rot. Bonds2

About 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea

1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea (PubChem CID 749667) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea
PubChem CID749667
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)Nc1cccc2ccccc12
InChIInChI=1S/C19H14N2O3/c22-18-16-10-14(9-8-13(16)11-24-18)20-19(23)21-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11H2,(H2,20,21,23)
InChIKeyKEWRZZASCVMIEP-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea (CID 749667) is 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea is O=C(Nc1ccc2c(c1)C(=O)OC2)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea?
The InChIKey is KEWRZZASCVMIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-18-16-10-14(9-8-13(16)11-24-18)20-19(23)21-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11H2,(H2,20,21,23).
What are the key properties of 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea?
1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea has a molecular weight of 318.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(3-oxo-1H-2-benzofuran-5-yl)urea is sourced from PubChem (CID 749667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).