1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea

C19H12BrF4N3O2 — CID 68531968

IUPAC1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Br)cc1F)Nc1cccnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12BrF4N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28)
InChIKeyAXNQKUCDHVWKLM-UHFFFAOYSA-N
MW470.22 g/mol
LogP6.44
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea

1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea (PubChem CID 68531968) has the molecular formula C19H12BrF4N3O2 and a molecular weight of 470.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
PubChem CID68531968
Molecular FormulaC19H12BrF4N3O2
Molecular Weight470.22 g/mol
Exact Mass469.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Br)cc1F)Nc1cccnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12BrF4N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28)
InChIKeyAXNQKUCDHVWKLM-UHFFFAOYSA-N
XLogP6.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.22
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533805
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-[(dimethylamino)methyl]-2-fluorophenyl]urea
CID 68528415
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68533846
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 87486477
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-(piperidin-4-ylmethoxy)phenyl]urea
CID 68533107
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea;1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
CID 87791359
1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68528210
1-[2-[2-(2-methoxypropan-2-yl)phenoxy]-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68529987
(E)-3-(3-bromophenyl)-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]prop-2-enamide
CID 68645348
1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea
CID 68533157
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide
CID 155912342

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea (CID 68531968) is 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea is O=C(Nc1ccc(Br)cc1F)Nc1cccnc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The InChIKey is AXNQKUCDHVWKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF4N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea has a molecular weight of 470.22 g/mol, XLogP of 6.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea is sourced from PubChem (CID 68531968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).