1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

C19H17F3N2O3 — CID 41406085

IUPAC1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESC[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C19H17F3N2O3/c1-12(17-10-13-6-2-4-8-15(13)26-17)24-18(25)23-11-14-7-3-5-9-16(14)27-19(20,21)22/h2-10,12H,11H2,1H3,(H2,23,24,25)/t12-/m1/s1
InChIKeyFZNCZQLBKKVNFT-GFCCVEGCSA-N
MW378.35 g/mol
LogP4.89
Rot. Bonds5

About 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 41406085) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID41406085
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESC[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C19H17F3N2O3/c1-12(17-10-13-6-2-4-8-15(13)26-17)24-18(25)23-11-14-7-3-5-9-16(14)27-19(20,21)22/h2-10,12H,11H2,1H3,(H2,23,24,25)/t12-/m1/s1
InChIKeyFZNCZQLBKKVNFT-GFCCVEGCSA-N
XLogP4.89
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 41182500
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006399
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929440
(2R)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929442
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337854
1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 111454167
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110910012
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (CID 41406085) is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cc2ccccc2o1.
What is the InChIKey of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is FZNCZQLBKKVNFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-12(17-10-13-6-2-4-8-15(13)26-17)24-18(25)23-11-14-7-3-5-9-16(14)27-19(20,21)22/h2-10,12H,11H2,1H3,(H2,23,24,25)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 378.35 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 41406085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).