1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea

C15H16FN3O2 — CID 42878509

IUPAC1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C15H16FN3O2/c1-10(2)18-15(20)19-11-7-8-14(17-9-11)21-13-6-4-3-5-12(13)16/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyQLIPMDHCTGXUML-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.54
Rot. Bonds4

About 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea

1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea (PubChem CID 42878509) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
PubChem CID42878509
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C15H16FN3O2/c1-10(2)18-15(20)19-11-7-8-14(17-9-11)21-13-6-4-3-5-12(13)16/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyQLIPMDHCTGXUML-UHFFFAOYSA-N
XLogP3.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
CID 2779657
1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878489
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878494
6-(2-fluorophenoxy)pyridine-3-carbonyl chloride
CID 23148937
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021903
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea (CID 42878509) is 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Oc2ccccc2F)nc1.
What is the InChIKey of 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea?
The InChIKey is QLIPMDHCTGXUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10(2)18-15(20)19-11-7-8-14(17-9-11)21-13-6-4-3-5-12(13)16/h3-10H,1-2H3,(H2,18,19,20).
What are the key properties of 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea?
1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea has a molecular weight of 289.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 42878509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).