1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea

C15H19F2N3O — CID 6928627

IUPAC1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
SMILESCN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccc(F)cc1F)C2
InChIInChI=1S/C15H19F2N3O/c1-20-11-3-4-12(20)8-10(7-11)18-15(21)19-14-5-2-9(16)6-13(14)17/h2,5-6,10-12H,3-4,7-8H2,1H3,(H2,18,19,21)/t11-,12-/m0/s1
InChIKeyBXNRARWHAFNOJQ-RYUDHWBXSA-N
MW295.33 g/mol
LogP2.71
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea

1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea (PubChem CID 6928627) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
PubChem CID6928627
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
SMILESCN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccc(F)cc1F)C2
InChIInChI=1S/C15H19F2N3O/c1-20-11-3-4-12(20)8-10(7-11)18-15(21)19-14-5-2-9(16)6-13(14)17/h2,5-6,10-12H,3-4,7-8H2,1H3,(H2,18,19,21)/t11-,12-/m0/s1
InChIKeyBXNRARWHAFNOJQ-RYUDHWBXSA-N
XLogP2.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea with MolForge

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Related Compounds

1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2,4-difluorophenyl)urea
CID 7402590
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CID 1467044
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015
1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2,4-difluorophenyl)urea
CID 11902223
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide
CID 98848072
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea
CID 14763328
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
1-(3-amino-2,2-dimethylcyclobutyl)-3-(2,4-difluorophenyl)urea
CID 114632507
1-(2-cyano-4-fluorophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 78894638

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea (CID 6928627) is 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea is CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccc(F)cc1F)C2.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea?
The InChIKey is BXNRARWHAFNOJQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-20-11-3-4-12(20)8-10(7-11)18-15(21)19-14-5-2-9(16)6-13(14)17/h2,5-6,10-12H,3-4,7-8H2,1H3,(H2,18,19,21)/t11-,12-/m0/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea?
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea has a molecular weight of 295.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea is sourced from PubChem (CID 6928627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).