1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea

C15H19F2N3O — CID 43596735

IUPAC1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCNC2(CCC2)C1
InChIInChI=1S/C15H19F2N3O/c16-10-2-3-13(12(17)8-10)20-14(21)19-11-4-7-18-15(9-11)5-1-6-15/h2-3,8,11,18H,1,4-7,9H2,(H2,19,20,21)
InChIKeySKBVFPNSROADIQ-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.76
Rot. Bonds2

About 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea

1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 43596735) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea
PubChem CID43596735
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCNC2(CCC2)C1
InChIInChI=1S/C15H19F2N3O/c16-10-2-3-13(12(17)8-10)20-14(21)19-11-4-7-18-15(9-11)5-1-6-15/h2-3,8,11,18H,1,4-7,9H2,(H2,19,20,21)
InChIKeySKBVFPNSROADIQ-UHFFFAOYSA-N
XLogP2.76
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide
CID 63673634
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
N-(5-azaspiro[3.5]nonan-8-yl)-2,6-difluorobenzamide
CID 43595348
1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-chlorophenyl)urea
CID 43596745
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627
N-(5-azaspiro[3.5]nonan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310321
N-(5-azaspiro[3.5]nonan-8-yl)-2-(2-methoxyphenyl)acetamide
CID 43595335
phenyl N-(5-azaspiro[3.5]nonan-8-yl)carbamate
CID 43596737
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 24819108
1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea
CID 113268765

Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea (CID 43596735) is 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)NC1CCNC2(CCC2)C1.
What is the InChIKey of 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is SKBVFPNSROADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c16-10-2-3-13(12(17)8-10)20-14(21)19-11-4-7-18-15(9-11)5-1-6-15/h2-3,8,11,18H,1,4-7,9H2,(H2,19,20,21).
What are the key properties of 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea?
1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 295.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 43596735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).