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

C19H16ClN3O2 — CID 135376125

IUPAC1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea
SMILESCOc1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)ccn1
InChIInChI=1S/C19H16ClN3O2/c1-25-18-12-14(9-10-21-18)13-3-2-4-17(11-13)23-19(24)22-16-7-5-15(20)6-8-16/h2-12H,1H3,(H2,22,23,24)
InChIKeyMRHCNYZKAGKUJS-UHFFFAOYSA-N
MW353.81 g/mol
LogP5.05
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea (PubChem CID 135376125) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea
PubChem CID135376125
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea
SMILESCOc1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)ccn1
InChIInChI=1S/C19H16ClN3O2/c1-25-18-12-14(9-10-21-18)13-3-2-4-17(11-13)23-19(24)22-16-7-5-15(20)6-8-16/h2-12H,1H3,(H2,22,23,24)
InChIKeyMRHCNYZKAGKUJS-UHFFFAOYSA-N
XLogP5.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea (CID 135376125) is 1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea is COc1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)ccn1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea?
The InChIKey is MRHCNYZKAGKUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-18-12-14(9-10-21-18)13-3-2-4-17(11-13)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-(2-methoxy-4-pyridinyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea has a molecular weight of 353.81 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(2-methoxy-4-pyridinyl)phenyl]urea is sourced from PubChem (CID 135376125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).