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

C19H15ClFN3O2 — CID 72544725

IUPAC1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O2/c20-14-3-1-4-16(11-14)23-19(25)24-18-17(5-2-10-22-18)26-12-13-6-8-15(21)9-7-13/h1-11H,12H2,(H2,22,23,24,25)
InChIKeySTWZEJNKYKOUCN-UHFFFAOYSA-N
MW371.80 g/mol
LogP5.10
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea (PubChem CID 72544725) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea
PubChem CID72544725
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O2/c20-14-3-1-4-16(11-14)23-19(25)24-18-17(5-2-10-22-18)26-12-13-6-8-15(21)9-7-13/h1-11H,12H2,(H2,22,23,24,25)
InChIKeySTWZEJNKYKOUCN-UHFFFAOYSA-N
XLogP5.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.80
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea (CID 72544725) is 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea is O=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea?
The InChIKey is STWZEJNKYKOUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-14-3-1-4-16(11-14)23-19(25)24-18-17(5-2-10-22-18)26-12-13-6-8-15(21)9-7-13/h1-11H,12H2,(H2,22,23,24,25).
What are the key properties of 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea?
1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea has a molecular weight of 371.80 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[(4-fluorophenyl)methoxy]-2-pyridinyl]urea is sourced from PubChem (CID 72544725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).