2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide

C14H14ClN3O3 — CID 50906880

IUPAC2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
SMILESCC1(C)CC12NC(=O)N(NC(=O)c1ccccc1Cl)C2=O
InChIInChI=1S/C14H14ClN3O3/c1-13(2)7-14(13)11(20)18(12(21)16-14)17-10(19)8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyACWWDSJUOFJYNH-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.71
Rot. Bonds2

About 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide

2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide (PubChem CID 50906880) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
PubChem CID50906880
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
SMILESCC1(C)CC12NC(=O)N(NC(=O)c1ccccc1Cl)C2=O
InChIInChI=1S/C14H14ClN3O3/c1-13(2)7-14(13)11(20)18(12(21)16-14)17-10(19)8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyACWWDSJUOFJYNH-UHFFFAOYSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide
CID 18129628
3,4-dichloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
CID 4794292
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
CID 50906875
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide
CID 50906876
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-3-methylbenzamide
CID 50906877
4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
CID 50906878
4-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
CID 50906879
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-fluorobenzamide
CID 50907074
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-2-fluorobenzamide
CID 50907075
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-(trifluoromethyl)benzamide
CID 50907076
2-(2-chloro-6-fluorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8879475
2-(2-chloro-6-fluorophenyl)-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8879478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide (CID 50906880) is 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide is CC1(C)CC12NC(=O)N(NC(=O)c1ccccc1Cl)C2=O.
What is the InChIKey of 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The InChIKey is ACWWDSJUOFJYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-13(2)7-14(13)11(20)18(12(21)16-14)17-10(19)8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19).
What are the key properties of 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide has a molecular weight of 307.74 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide is sourced from PubChem (CID 50906880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).