3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea

C18H15Cl2N3O2 — CID 3236637

IUPAC3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C18H15Cl2N3O2/c19-16-6-5-14(9-17(16)20)22-18(24)23(12-15-4-2-8-25-15)11-13-3-1-7-21-10-13/h1-10H,11-12H2,(H,22,24)
InChIKeyRWZIQOTVJDJVNI-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.22
Rot. Bonds5

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

3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 3236637) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID3236637
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C18H15Cl2N3O2/c19-16-6-5-14(9-17(16)20)22-18(24)23(12-15-4-2-8-25-15)11-13-3-1-7-21-10-13/h1-10H,11-12H2,(H,22,24)
InChIKeyRWZIQOTVJDJVNI-UHFFFAOYSA-N
XLogP5.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea (CID 3236637) is 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is RWZIQOTVJDJVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-16-6-5-14(9-17(16)20)22-18(24)23(12-15-4-2-8-25-15)11-13-3-1-7-21-10-13/h1-10H,11-12H2,(H,22,24).
What are the key properties of 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea?
3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 376.24 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 3236637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).