1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

C18H17F3N2O3 — CID 166180149

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OC(F)(F)F)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)26-16-8-4-2-6-13(16)10-22-17(24)23-11-14-9-12-5-1-3-7-15(12)25-14/h1-8,14H,9-11H2,(H2,22,23,24)
InChIKeyWDKVEPMEYQTQDP-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.39
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 166180149) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID166180149
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OC(F)(F)F)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)26-16-8-4-2-6-13(16)10-22-17(24)23-11-14-9-12-5-1-3-7-15(12)25-14/h1-8,14H,9-11H2,(H2,22,23,24)
InChIKeyWDKVEPMEYQTQDP-UHFFFAOYSA-N
XLogP3.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 51082988
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94215493
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111950358
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 51114097
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104043
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(2-methoxyethoxy)phenyl]urea
CID 86841892
1-[(1,1-dioxothian-3-yl)methyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 166199992
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
(2S)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 38274296
1-(3-propan-2-yloxypropyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86925085
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (CID 166180149) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is O=C(NCc1ccccc1OC(F)(F)F)NCC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is WDKVEPMEYQTQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)26-16-8-4-2-6-13(16)10-22-17(24)23-11-14-9-12-5-1-3-7-15(12)25-14/h1-8,14H,9-11H2,(H2,22,23,24).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 366.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 166180149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).