1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea

C21H19F2N3O2 — CID 68533157

IUPAC1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea
SMILESCC(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C21H19F2N3O2/c1-13(2)14-5-3-6-16(11-14)28-20-19(7-4-10-24-20)26-21(27)25-18-9-8-15(22)12-17(18)23/h3-13H,1-2H3,(H2,25,26,27)
InChIKeyAIKIFMZCYJXEND-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.92
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea

1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea (PubChem CID 68533157) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea
PubChem CID68533157
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea
SMILESCC(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C21H19F2N3O2/c1-13(2)14-5-3-6-16(11-14)28-20-19(7-4-10-24-20)26-21(27)25-18-9-8-15(22)12-17(18)23/h3-13H,1-2H3,(H2,25,26,27)
InChIKeyAIKIFMZCYJXEND-UHFFFAOYSA-N
XLogP5.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
N-(2,4-difluorophenyl)-2-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 19902862
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
CID 68531968
1-(4-bromo-2-fluorophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533805
2-(3-chloro-4-methylphenoxy)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 134116749
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea
CID 68534808
1-(2,4-difluorophenyl)-3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390772
1-(2,4-difluorophenyl)-3-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390771
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea (CID 68533157) is 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea is CC(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea?
The InChIKey is AIKIFMZCYJXEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-13(2)14-5-3-6-16(11-14)28-20-19(7-4-10-24-20)26-21(27)25-18-9-8-15(22)12-17(18)23/h3-13H,1-2H3,(H2,25,26,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea?
1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea has a molecular weight of 383.40 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 68533157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).