3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea

C18H16ClN3O2 — CID 3238750

IUPAC3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C18H16ClN3O2/c19-15-5-7-16(8-6-15)21-18(23)22(13-17-4-2-10-24-17)12-14-3-1-9-20-11-14/h1-11H,12-13H2,(H,21,23)
InChIKeyOVTWTGBGRDBMQL-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.56
Rot. Bonds5

About 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea

3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 3238750) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID3238750
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C18H16ClN3O2/c19-15-5-7-16(8-6-15)21-18(23)22(13-17-4-2-10-24-17)12-14-3-1-9-20-11-14/h1-11H,12-13H2,(H,21,23)
InChIKeyOVTWTGBGRDBMQL-UHFFFAOYSA-N
XLogP4.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea (CID 3238750) is 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea is O=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is OVTWTGBGRDBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-15-5-7-16(8-6-15)21-18(23)22(13-17-4-2-10-24-17)12-14-3-1-9-20-11-14/h1-11H,12-13H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 341.80 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 3238750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).