propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

C19H26F2N2O2 — CID 155874905

IUPACpropan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCC(C)OC(=O)NC1CC2(CCN(Cc3ccc(F)cc3F)CC2)C1
InChIInChI=1S/C19H26F2N2O2/c1-13(2)25-18(24)22-16-10-19(11-16)5-7-23(8-6-19)12-14-3-4-15(20)9-17(14)21/h3-4,9,13,16H,5-8,10-12H2,1-2H3,(H,22,24)
InChIKeyVIDSTRGOPUSWAZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.84
Rot. Bonds4

About propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (PubChem CID 155874905) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
PubChem CID155874905
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Namepropan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCC(C)OC(=O)NC1CC2(CCN(Cc3ccc(F)cc3F)CC2)C1
InChIInChI=1S/C19H26F2N2O2/c1-13(2)25-18(24)22-16-10-19(11-16)5-7-23(8-6-19)12-14-3-4-15(20)9-17(14)21/h3-4,9,13,16H,5-8,10-12H2,1-2H3,(H,22,24)
InChIKeyVIDSTRGOPUSWAZ-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-[7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 155864792
2-methylpropyl N-[7-[(2,5-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 155864667
propan-2-yl N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 171692609
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
tert-butyl N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]carbamate
CID 60512993
[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165432887
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine
CID 63339468
7-[(2,5-difluorophenyl)methyl]-N-[6-(trifluoromethyl)pyrimidin-4-yl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155864579
methyl 1-[(2,4-difluorophenyl)methyl]azetidine-2-carboxylate
CID 112581393
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341957

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (CID 155874905) is propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is CC(C)OC(=O)NC1CC2(CCN(Cc3ccc(F)cc3F)CC2)C1.
What is the InChIKey of propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The InChIKey is VIDSTRGOPUSWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-13(2)25-18(24)22-16-10-19(11-16)5-7-23(8-6-19)12-14-3-4-15(20)9-17(14)21/h3-4,9,13,16H,5-8,10-12H2,1-2H3,(H,22,24).
What are the key properties of propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[7-[(2,4-difluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is sourced from PubChem (CID 155874905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).