1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea

C18H22FN3O3 — CID 167456641

IUPAC1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OCCF)n1
InChIInChI=1S/C18H22FN3O3/c1-12(2)13-6-4-5-7-14(13)20-18(23)21-15-8-9-16(24-3)22-17(15)25-11-10-19/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23)
InChIKeyZQOJDTSPHDLPDC-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.21
Rot. Bonds7

About 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea

1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 167456641) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID167456641
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OCCF)n1
InChIInChI=1S/C18H22FN3O3/c1-12(2)13-6-4-5-7-14(13)20-18(23)21-15-8-9-16(24-3)22-17(15)25-11-10-19/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23)
InChIKeyZQOJDTSPHDLPDC-UHFFFAOYSA-N
XLogP4.21
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea (CID 167456641) is 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OCCF)n1.
What is the InChIKey of 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is ZQOJDTSPHDLPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12(2)13-6-4-5-7-14(13)20-18(23)21-15-8-9-16(24-3)22-17(15)25-11-10-19/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea?
1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 347.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 167456641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).