1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

C24H23FN2O2 — CID 10068970

IUPAC1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1cccc(-c2ccccc2F)c1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C24H23FN2O2/c25-22-9-2-1-8-20(22)18-7-3-5-16(13-18)15-26-24(29)27-23-10-4-6-17-11-12-19(28)14-21(17)23/h1-10,13,19,28H,11-12,14-15H2,(H2,26,27,29)
InChIKeyFJSNHRRZHMPNRK-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.66
Rot. Bonds4

About 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 10068970) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID10068970
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1cccc(-c2ccccc2F)c1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C24H23FN2O2/c25-22-9-2-1-8-20(22)18-7-3-5-16(13-18)15-26-24(29)27-23-10-4-6-17-11-12-19(28)14-21(17)23/h1-10,13,19,28H,11-12,14-15H2,(H2,26,27,29)
InChIKeyFJSNHRRZHMPNRK-UHFFFAOYSA-N
XLogP4.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 10068970) is 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(NCc1cccc(-c2ccccc2F)c1)Nc1cccc2c1CC(O)CC2.
What is the InChIKey of 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is FJSNHRRZHMPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-22-9-2-1-8-20(22)18-7-3-5-16(13-18)15-26-24(29)27-23-10-4-6-17-11-12-19(28)14-21(17)23/h1-10,13,19,28H,11-12,14-15H2,(H2,26,27,29).
What are the key properties of 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 390.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 10068970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).