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

C20H17F2N3O2 — CID 68530361

IUPAC1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea
SMILESCCc1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H17F2N3O2/c1-2-13-6-3-4-8-18(13)27-19-17(7-5-11-23-19)25-20(26)24-16-10-9-14(21)12-15(16)22/h3-12H,2H2,1H3,(H2,24,25,26)
InChIKeySBMVKIALGJUPLA-UHFFFAOYSA-N
MW369.37 g/mol
LogP5.36
Rot. Bonds5

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

1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea (PubChem CID 68530361) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea
PubChem CID68530361
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea
SMILESCCc1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H17F2N3O2/c1-2-13-6-3-4-8-18(13)27-19-17(7-5-11-23-19)25-20(26)24-16-10-9-14(21)12-15(16)22/h3-12H,2H2,1H3,(H2,24,25,26)
InChIKeySBMVKIALGJUPLA-UHFFFAOYSA-N
XLogP5.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.37
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

11C-Pbr-28
CID 11653141
N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
N-((2-(2-(Fluoro-18F)ethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide
CID 24875298
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
N-(6-fluoro-4-phenoxypyridin-3-yl)-N-(2-methoxybenzyl)acetamide
CID 56671767
1-[2-[[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-(6-fluoro-3-pyridinyl)urea
CID 70680982
1-[2-[[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-[6-(2-fluoroethoxy)-3-pyridinyl]urea
CID 70683108

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea (CID 68530361) is 1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea is CCc1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea?
The InChIKey is SBMVKIALGJUPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-2-13-6-3-4-8-18(13)27-19-17(7-5-11-23-19)25-20(26)24-16-10-9-14(21)12-15(16)22/h3-12H,2H2,1H3,(H2,24,25,26).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea?
1-(2,4-difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea has a molecular weight of 369.37 g/mol, XLogP of 5.36, 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-(2-ethylphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 68530361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).