N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide

C13H15Cl2N3O — CID 86682350

IUPACN-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC12CNC2
InChIInChI=1S/C13H15Cl2N3O/c14-10-2-1-9(11(15)5-10)6-17-12(19)18-4-3-13(18)7-16-8-13/h1-2,5,16H,3-4,6-8H2,(H,17,19)
InChIKeyYREBACSVKCUOHN-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.25
Rot. Bonds2

About N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide (PubChem CID 86682350) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide
PubChem CID86682350
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC12CNC2
InChIInChI=1S/C13H15Cl2N3O/c14-10-2-1-9(11(15)5-10)6-17-12(19)18-4-3-13(18)7-16-8-13/h1-2,5,16H,3-4,6-8H2,(H,17,19)
InChIKeyYREBACSVKCUOHN-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide (CID 86682350) is N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC12CNC2.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide?
The InChIKey is YREBACSVKCUOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-10-2-1-9(11(15)5-10)6-17-12(19)18-4-3-13(18)7-16-8-13/h1-2,5,16H,3-4,6-8H2,(H,17,19).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide has a molecular weight of 300.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide is sourced from PubChem (CID 86682350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).