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

C19H17F3N2O2 — CID 41182500

IUPAC1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESC[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H17F3N2O2/c1-12(17-10-14-6-2-3-8-16(14)26-17)24-18(25)23-11-13-5-4-7-15(9-13)19(20,21)22/h2-10,12H,11H2,1H3,(H2,23,24,25)/t12-/m1/s1
InChIKeyIQFVXQYCQBTRNE-GFCCVEGCSA-N
MW362.35 g/mol
LogP5.01
Rot. Bonds4

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

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 41182500) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID41182500
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESC[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H17F3N2O2/c1-12(17-10-14-6-2-3-8-16(14)26-17)24-18(25)23-11-13-5-4-7-15(9-13)19(20,21)22/h2-10,12H,11H2,1H3,(H2,23,24,25)/t12-/m1/s1
InChIKeyIQFVXQYCQBTRNE-GFCCVEGCSA-N
XLogP5.01
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3-nitrophenyl)methyl]urea
CID 86855244
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 41406085
(2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 28880698
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanediamide
CID 36505459
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]butanoic acid
CID 61180903
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 62671146
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 41182500) is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea is C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is IQFVXQYCQBTRNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12(17-10-14-6-2-3-8-16(14)26-17)24-18(25)23-11-13-5-4-7-15(9-13)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-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 362.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 41182500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).