N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide

C20H23Cl2N3O4 — CID 4731290

IUPACN'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
SMILESCN1C(=O)C2(C)CC(C)(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC(C)(C2)C1=O
InChIInChI=1S/C20H23Cl2N3O4/c1-18(8-19(2)10-20(3,9-18)17(29)25(4)16(19)28)15(27)24-23-14(26)12-6-5-11(21)7-13(12)22/h5-7H,8-10H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyAYBQPQKIIKIEGQ-UHFFFAOYSA-N
MW440.33 g/mol
LogP2.96
Rot. Bonds2

About N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide

N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide (PubChem CID 4731290) has the molecular formula C20H23Cl2N3O4 and a molecular weight of 440.33 g/mol. Its IUPAC name is N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
PubChem CID4731290
Molecular FormulaC20H23Cl2N3O4
Molecular Weight440.33 g/mol
Exact Mass439.11
IUPAC NameN'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
SMILESCN1C(=O)C2(C)CC(C)(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC(C)(C2)C1=O
InChIInChI=1S/C20H23Cl2N3O4/c1-18(8-19(2)10-20(3,9-18)17(29)25(4)16(19)28)15(27)24-23-14(26)12-6-5-11(21)7-13(12)22/h5-7H,8-10H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyAYBQPQKIIKIEGQ-UHFFFAOYSA-N
XLogP2.96
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 18834286
3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
CID 134094710
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731178
N-[(2,4-dichlorobenzoyl)amino]carbamodithioate
CID 135747047
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3934217
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081
2,4-dichloro-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163582
2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 1283831
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
1-butyl-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 40648193

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The IUPAC name of N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide (CID 4731290) is N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide.
What is the SMILES notation for N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The canonical SMILES for N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide is CN1C(=O)C2(C)CC(C)(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC(C)(C2)C1=O.
What is the InChIKey of N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The InChIKey is AYBQPQKIIKIEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O4/c1-18(8-19(2)10-20(3,9-18)17(29)25(4)16(19)28)15(27)24-23-14(26)12-6-5-11(21)7-13(12)22/h5-7H,8-10H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide has a molecular weight of 440.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide is sourced from PubChem (CID 4731290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).