1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea

C17H13ClN2O2 — CID 135376463

IUPAC1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccoc2)c1
InChIInChI=1S/C17H13ClN2O2/c18-14-4-6-15(7-5-14)19-17(21)20-16-3-1-2-12(10-16)13-8-9-22-11-13/h1-11H,(H2,19,20,21)
InChIKeyGGQCMDHIOMYDQD-UHFFFAOYSA-N
MW312.76 g/mol
LogP5.24
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea (PubChem CID 135376463) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea
PubChem CID135376463
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccoc2)c1
InChIInChI=1S/C17H13ClN2O2/c18-14-4-6-15(7-5-14)19-17(21)20-16-3-1-2-12(10-16)13-8-9-22-11-13/h1-11H,(H2,19,20,21)
InChIKeyGGQCMDHIOMYDQD-UHFFFAOYSA-N
XLogP5.24
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.76
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea (CID 135376463) is 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccoc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea?
The InChIKey is GGQCMDHIOMYDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-4-6-15(7-5-14)19-17(21)20-16-3-1-2-12(10-16)13-8-9-22-11-13/h1-11H,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea has a molecular weight of 312.76 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(furan-3-yl)phenyl]urea is sourced from PubChem (CID 135376463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).