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

C20H18FN3O2 — CID 72544946

IUPAC1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1ncccc1OCc1cccc(F)c1
InChIInChI=1S/C20H18FN3O2/c21-17-9-4-8-16(12-17)14-26-18-10-5-11-22-19(18)24-20(25)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,22,23,24,25)
InChIKeyLHFUUHBDVRKDFN-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.12
Rot. Bonds6

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

1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea (PubChem CID 72544946) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea
PubChem CID72544946
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1ncccc1OCc1cccc(F)c1
InChIInChI=1S/C20H18FN3O2/c21-17-9-4-8-16(12-17)14-26-18-10-5-11-22-19(18)24-20(25)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,22,23,24,25)
InChIKeyLHFUUHBDVRKDFN-UHFFFAOYSA-N
XLogP4.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea (CID 72544946) is 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea is O=C(NCc1ccccc1)Nc1ncccc1OCc1cccc(F)c1.
What is the InChIKey of 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea?
The InChIKey is LHFUUHBDVRKDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-17-9-4-8-16(12-17)14-26-18-10-5-11-22-19(18)24-20(25)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,22,23,24,25).
What are the key properties of 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea?
1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea has a molecular weight of 351.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea is sourced from PubChem (CID 72544946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).