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

C19H15F3N2O2 — CID 10089889

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H15F3N2O2/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/h1-10,25H,11H2,(H2,23,24,26)
InChIKeyNTNNNBUEGNLQNJ-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.89
Rot. Bonds3

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

1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 10089889) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID10089889
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H15F3N2O2/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/h1-10,25H,11H2,(H2,23,24,26)
InChIKeyNTNNNBUEGNLQNJ-UHFFFAOYSA-N
XLogP4.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 10089889) is 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is NTNNNBUEGNLQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/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/h1-10,25H,11H2,(H2,23,24,26).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 360.34 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 10089889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).