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

C20H18FN3O2 — CID 69300355

IUPAC1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea
SMILESCOc1ncccc1-c1ccc(NC(=O)Nc2ccccc2C)cc1F
InChIInChI=1S/C20H18FN3O2/c1-13-6-3-4-8-18(13)24-20(25)23-14-9-10-15(17(21)12-14)16-7-5-11-22-19(16)26-2/h3-12H,1-2H3,(H2,23,24,25)
InChIKeyBFMXPHVWGBGOEL-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.85
Rot. Bonds4

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

1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea (PubChem CID 69300355) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea
PubChem CID69300355
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea
SMILESCOc1ncccc1-c1ccc(NC(=O)Nc2ccccc2C)cc1F
InChIInChI=1S/C20H18FN3O2/c1-13-6-3-4-8-18(13)24-20(25)23-14-9-10-15(17(21)12-14)16-7-5-11-22-19(16)26-2/h3-12H,1-2H3,(H2,23,24,25)
InChIKeyBFMXPHVWGBGOEL-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea (CID 69300355) is 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea is COc1ncccc1-c1ccc(NC(=O)Nc2ccccc2C)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea?
The InChIKey is BFMXPHVWGBGOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-6-3-4-8-18(13)24-20(25)23-14-9-10-15(17(21)12-14)16-7-5-11-22-19(16)26-2/h3-12H,1-2H3,(H2,23,24,25).
What are the key properties of 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea?
1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea has a molecular weight of 351.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 69300355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).