1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea

C19H16ClN3O2 — CID 72545412

IUPAC1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ncccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O2/c20-15-7-4-6-14(12-15)13-25-17-10-5-11-21-18(17)23-19(24)22-16-8-2-1-3-9-16/h1-12H,13H2,(H2,21,22,23,24)
InChIKeyGYOLYYAWIVNPTE-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.96
Rot. Bonds5

About 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea

1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea (PubChem CID 72545412) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea
PubChem CID72545412
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ncccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O2/c20-15-7-4-6-14(12-15)13-25-17-10-5-11-21-18(17)23-19(24)22-16-8-2-1-3-9-16/h1-12H,13H2,(H2,21,22,23,24)
InChIKeyGYOLYYAWIVNPTE-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea (CID 72545412) is 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ncccc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea?
The InChIKey is GYOLYYAWIVNPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-7-4-6-14(12-15)13-25-17-10-5-11-21-18(17)23-19(24)22-16-8-2-1-3-9-16/h1-12H,13H2,(H2,21,22,23,24).
What are the key properties of 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea?
1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea has a molecular weight of 353.81 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 72545412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).