1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea

C20H17F3N2O2 — CID 56764191

IUPAC1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)c1cccc2ccccc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)16-10-3-4-11-17(16)25-19(27)24-12-18(26)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,18,26H,12H2,(H2,24,25,27)
InChIKeyIRJPMVZJLRWBDP-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.71
Rot. Bonds4

About 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 56764191) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID56764191
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)c1cccc2ccccc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)16-10-3-4-11-17(16)25-19(27)24-12-18(26)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,18,26H,12H2,(H2,24,25,27)
InChIKeyIRJPMVZJLRWBDP-UHFFFAOYSA-N
XLogP4.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 56764191) is 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCC(O)c1cccc2ccccc12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is IRJPMVZJLRWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)16-10-3-4-11-17(16)25-19(27)24-12-18(26)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,18,26H,12H2,(H2,24,25,27).
What are the key properties of 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 374.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56764191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).