1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea

C20H13F3N2O2 — CID 2421709

IUPAC1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H13F3N2O2/c21-20(22,23)12-4-3-5-13(10-12)24-19(26)25-14-8-9-18-16(11-14)15-6-1-2-7-17(15)27-18/h1-11H,(H2,24,25,26)
InChIKeyNVJBEVSUODWDLH-UHFFFAOYSA-N
MW370.33 g/mol
LogP6.25
Rot. Bonds2

About 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea

1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2421709) has the molecular formula C20H13F3N2O2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2421709
Molecular FormulaC20H13F3N2O2
Molecular Weight370.33 g/mol
Exact Mass370.09
IUPAC Name1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H13F3N2O2/c21-20(22,23)12-4-3-5-13(10-12)24-19(26)25-14-8-9-18-16(11-14)15-6-1-2-7-17(15)27-18/h1-11H,(H2,24,25,26)
InChIKeyNVJBEVSUODWDLH-UHFFFAOYSA-N
XLogP6.25
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide
CID 18876143
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea (CID 2421709) is 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is NVJBEVSUODWDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2/c21-20(22,23)12-4-3-5-13(10-12)24-19(26)25-14-8-9-18-16(11-14)15-6-1-2-7-17(15)27-18/h1-11H,(H2,24,25,26).
What are the key properties of 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea?
1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 370.33 g/mol, XLogP of 6.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2421709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).