1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea

C19H16ClN3O — CID 135376385

IUPAC1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea
SMILESCc1ccnc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C19H16ClN3O/c1-13-9-10-21-18(11-13)14-3-2-4-17(12-14)23-19(24)22-16-7-5-15(20)6-8-16/h2-12H,1H3,(H2,22,23,24)
InChIKeyJXENYAGQOFATEP-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.35
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea (PubChem CID 135376385) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea
PubChem CID135376385
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea
SMILESCc1ccnc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C19H16ClN3O/c1-13-9-10-21-18(11-13)14-3-2-4-17(12-14)23-19(24)22-16-7-5-15(20)6-8-16/h2-12H,1H3,(H2,22,23,24)
InChIKeyJXENYAGQOFATEP-UHFFFAOYSA-N
XLogP5.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.35
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-(4-methyl-2-pyridinyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea (CID 135376385) is 1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea is Cc1ccnc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea?
The InChIKey is JXENYAGQOFATEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-13-9-10-21-18(11-13)14-3-2-4-17(12-14)23-19(24)22-16-7-5-15(20)6-8-16/h2-12H,1H3,(H2,22,23,24).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(4-methyl-2-pyridinyl)phenyl]urea has a molecular weight of 337.81 g/mol, XLogP of 5.35, 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-(4-methyl-2-pyridinyl)phenyl]urea is sourced from PubChem (CID 135376385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).