(2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one

C16H20Cl2N2O — CID 99815039

IUPAC(2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one
SMILESC[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CCC2)C1
InChIInChI=1S/C16H20Cl2N2O/c1-11(19-14-4-3-12(17)9-13(14)18)15(21)20-8-7-16(10-20)5-2-6-16/h3-4,9,11,19H,2,5-8,10H2,1H3/t11-/m1/s1
InChIKeyAYFHIRMGDJTOKD-LLVKDONJSA-N
MW327.25 g/mol
LogP4.20
Rot. Bonds3

About (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one

(2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one (PubChem CID 99815039) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one
PubChem CID99815039
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name(2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one
SMILESC[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CCC2)C1
InChIInChI=1S/C16H20Cl2N2O/c1-11(19-14-4-3-12(17)9-13(14)18)15(21)20-8-7-16(10-20)5-2-6-16/h3-4,9,11,19H,2,5-8,10H2,1H3/t11-/m1/s1
InChIKeyAYFHIRMGDJTOKD-LLVKDONJSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one with MolForge

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Related Compounds

(2S)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 99707450
2-(2,4-dichloroanilino)-N-methylpropanamide
CID 18321698
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
N-(2,4-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971732
2-(4-chloro-2-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115587016
(2R)-2-[(7-chloroquinazolin-4-yl)amino]-1-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-one
CID 178126825
1-(azepan-1-yl)-2-(2,4,6-trichloroanilino)propan-1-one
CID 43126506
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one
CID 82038014
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one
CID 82037973
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one?
The IUPAC name of (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one (CID 99815039) is (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one.
What is the SMILES notation for (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one?
The canonical SMILES for (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one is C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CCC2)C1.
What is the InChIKey of (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one?
The InChIKey is AYFHIRMGDJTOKD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-11(19-14-4-3-12(17)9-13(14)18)15(21)20-8-7-16(10-20)5-2-6-16/h3-4,9,11,19H,2,5-8,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one?
(2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one has a molecular weight of 327.25 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2,4-dichloroanilino)propan-1-one is sourced from PubChem (CID 99815039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).