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

C13H15Cl2N3O — CID 86682344

IUPACN-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CC2(CNC2)C1
InChIInChI=1S/C13H15Cl2N3O/c14-10-2-1-9(11(15)3-10)4-17-12(19)18-7-13(8-18)5-16-6-13/h1-3,16H,4-8H2,(H,17,19)
InChIKeyCAJIXDBMQHBIBV-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.11
Rot. Bonds2

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

N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide (PubChem CID 86682344) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
PubChem CID86682344
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CC2(CNC2)C1
InChIInChI=1S/C13H15Cl2N3O/c14-10-2-1-9(11(15)3-10)4-17-12(19)18-7-13(8-18)5-16-6-13/h1-3,16H,4-8H2,(H,17,19)
InChIKeyCAJIXDBMQHBIBV-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide (CID 86682344) is N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CC2(CNC2)C1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The InChIKey is CAJIXDBMQHBIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-10-2-1-9(11(15)3-10)4-17-12(19)18-7-13(8-18)5-16-6-13/h1-3,16H,4-8H2,(H,17,19).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide has a molecular weight of 300.19 g/mol, XLogP of 2.11, 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]-2,6-diazaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 86682344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).