1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

C19H15F3N2O3 — CID 10090920

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)27-15-8-4-12(5-9-15)11-23-18(26)24-17-3-1-2-13-6-7-14(25)10-16(13)17/h1-10,25H,11H2,(H2,23,24,26)
InChIKeyANZYUYPHYPCLHI-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.77
Rot. Bonds4

About 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 10090920) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID10090920
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)27-15-8-4-12(5-9-15)11-23-18(26)24-17-3-1-2-13-6-7-14(25)10-16(13)17/h1-10,25H,11H2,(H2,23,24,26)
InChIKeyANZYUYPHYPCLHI-UHFFFAOYSA-N
XLogP4.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (CID 10090920) is 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is ANZYUYPHYPCLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)27-15-8-4-12(5-9-15)11-23-18(26)24-17-3-1-2-13-6-7-14(25)10-16(13)17/h1-10,25H,11H2,(H2,23,24,26).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 376.33 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 10090920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).