1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea

C18H14ClN3O — CID 135376399

IUPAC1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccncc2)c1
InChIInChI=1S/C18H14ClN3O/c19-15-4-6-16(7-5-15)21-18(23)22-17-3-1-2-14(12-17)13-8-10-20-11-9-13/h1-12H,(H2,21,22,23)
InChIKeyHZEQGOAXOOPOOL-UHFFFAOYSA-N
MW323.78 g/mol
LogP5.05
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea

1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea (PubChem CID 135376399) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea
PubChem CID135376399
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccncc2)c1
InChIInChI=1S/C18H14ClN3O/c19-15-4-6-16(7-5-15)21-18(23)22-17-3-1-2-14(12-17)13-8-10-20-11-9-13/h1-12H,(H2,21,22,23)
InChIKeyHZEQGOAXOOPOOL-UHFFFAOYSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.78
LogP ≤ 55.05
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-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea (CID 135376399) is 1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccncc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea?
The InChIKey is HZEQGOAXOOPOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-15-4-6-16(7-5-15)21-18(23)22-17-3-1-2-14(12-17)13-8-10-20-11-9-13/h1-12H,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea?
1-(4-chlorophenyl)-3-(3-pyridin-4-ylphenyl)urea has a molecular weight of 323.78 g/mol, XLogP of 5.05, 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-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 135376399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).