1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea

C11H9F3N2O2 — CID 143140690

IUPAC1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea
SMILESCNC(=O)Nc1cccc2oc(C(F)(F)F)cc12
InChIInChI=1S/C11H9F3N2O2/c1-15-10(17)16-7-3-2-4-8-6(7)5-9(18-8)11(12,13)14/h2-5H,1H3,(H2,15,16,17)
InChIKeyYZFSGCMKASXSTA-UHFFFAOYSA-N
MW258.20 g/mol
LogP3.20
Rot. Bonds1

About 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea

1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea (PubChem CID 143140690) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea
PubChem CID143140690
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea
SMILESCNC(=O)Nc1cccc2oc(C(F)(F)F)cc12
InChIInChI=1S/C11H9F3N2O2/c1-15-10(17)16-7-3-2-4-8-6(7)5-9(18-8)11(12,13)14/h2-5H,1H3,(H2,15,16,17)
InChIKeyYZFSGCMKASXSTA-UHFFFAOYSA-N
XLogP3.20
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide
CID 21082664
1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea
CID 91082728
1-(3-fluoro-2-iodophenyl)-3-methylurea
CID 130164598
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 978007
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726846
3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1343003
2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide
CID 145301139
1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
CID 129348770
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 2421709

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea?
The IUPAC name of 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea (CID 143140690) is 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea.
What is the SMILES notation for 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea?
The canonical SMILES for 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea is CNC(=O)Nc1cccc2oc(C(F)(F)F)cc12.
What is the InChIKey of 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea?
The InChIKey is YZFSGCMKASXSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-15-10(17)16-7-3-2-4-8-6(7)5-9(18-8)11(12,13)14/h2-5H,1H3,(H2,15,16,17).
What are the key properties of 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea?
1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea has a molecular weight of 258.20 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea is sourced from PubChem (CID 143140690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).