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

C20H19Cl2N3O2 — CID 71554897

IUPAC6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CC2(C1)CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H19Cl2N3O2/c21-16-7-6-15(17(22)8-16)9-23-19(27)25-12-20(13-25)10-24(11-20)18(26)14-4-2-1-3-5-14/h1-8H,9-13H2,(H,23,27)
InChIKeyIIEIJDLGNPYPCX-UHFFFAOYSA-N
MW404.30 g/mol
LogP3.66
Rot. Bonds3

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

6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide (PubChem CID 71554897) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound Name6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
PubChem CID71554897
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CC2(C1)CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H19Cl2N3O2/c21-16-7-6-15(17(22)8-16)9-23-19(27)25-12-20(13-25)10-24(11-20)18(26)14-4-2-1-3-5-14/h1-8H,9-13H2,(H,23,27)
InChIKeyIIEIJDLGNPYPCX-UHFFFAOYSA-N
XLogP3.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72912147
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
CID 4191533
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223
N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide
CID 59370592
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
CID 71554976
(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
CID 72854525
N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927664
1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 1004020
4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 24748603

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide (CID 71554897) is 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CC2(C1)CN(C(=O)c1ccccc1)C2.
What is the InChIKey of 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
The InChIKey is IIEIJDLGNPYPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c21-16-7-6-15(17(22)8-16)9-23-19(27)25-12-20(13-25)10-24(11-20)18(26)14-4-2-1-3-5-14/h1-8H,9-13H2,(H,23,27).
What are the key properties of 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide?
6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 71554897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).