1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C17H16F2N2O — CID 24819108

IUPAC1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCCc2ccccc21
InChIInChI=1S/C17H16F2N2O/c18-12-8-9-16(14(19)10-12)21-17(22)20-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H2,20,21,22)
InChIKeyYDRYRCFTJYRTNU-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.16
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 24819108) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID24819108
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCCc2ccccc21
InChIInChI=1S/C17H16F2N2O/c18-12-8-9-16(14(19)10-12)21-17(22)20-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H2,20,21,22)
InChIKeyYDRYRCFTJYRTNU-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 24819108) is 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(Nc1ccc(F)cc1F)NC1CCCc2ccccc21.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is YDRYRCFTJYRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-12-8-9-16(14(19)10-12)21-17(22)20-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 302.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 24819108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).