1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C19H19F3N2O2 — CID 10090161

IUPAC1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)14-7-4-12(5-8-14)11-23-18(26)24-17-3-1-2-13-6-9-15(25)10-16(13)17/h1-5,7-8,15,25H,6,9-11H2,(H2,23,24,26)/t15-/m1/s1
InChIKeyUCYXJKMLVVVFAC-OAHLLOKOSA-N
MW364.37 g/mol
LogP3.88
Rot. Bonds3

About 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 10090161) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID10090161
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)14-7-4-12(5-8-14)11-23-18(26)24-17-3-1-2-13-6-9-15(25)10-16(13)17/h1-5,7-8,15,25H,6,9-11H2,(H2,23,24,26)/t15-/m1/s1
InChIKeyUCYXJKMLVVVFAC-OAHLLOKOSA-N
XLogP3.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(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

Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 10090161) is 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C[C@H](O)CC2.
What is the InChIKey of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is UCYXJKMLVVVFAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)14-7-4-12(5-8-14)11-23-18(26)24-17-3-1-2-13-6-9-15(25)10-16(13)17/h1-5,7-8,15,25H,6,9-11H2,(H2,23,24,26)/t15-/m1/s1.
What are the key properties of 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 364.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 10090161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).