N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide

C17H18Cl2N2O3 — CID 18834286

IUPACN'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
SMILESCC1(C)C2CCC1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)C(=O)C2
InChIInChI=1S/C17H18Cl2N2O3/c1-16(2)9-5-6-17(16,13(22)7-9)15(24)21-20-14(23)11-4-3-10(18)8-12(11)19/h3-4,8-9H,5-7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYWIMOYUJBVJRNR-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.15
Rot. Bonds2

About N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide

N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide (PubChem CID 18834286) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
PubChem CID18834286
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC NameN'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
SMILESCC1(C)C2CCC1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)C(=O)C2
InChIInChI=1S/C17H18Cl2N2O3/c1-16(2)9-5-6-17(16,13(22)7-9)15(24)21-20-14(23)11-4-3-10(18)8-12(11)19/h3-4,8-9H,5-7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYWIMOYUJBVJRNR-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-N'-(2-nitrobenzoyl)-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 18834279
N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
CID 4731290
N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834264
N'-(2,4-dichlorobenzoyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261613
N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834254
6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 18834754
[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 2,4-dichlorobenzoate
CID 20894269
3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
CID 134094710
4,5-dicyano-N'-[2-(2,4-dichlorophenoxy)acetyl]-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carbohydrazide
CID 18834932
N-[(2,4-dichlorobenzoyl)amino]carbamodithioate
CID 135747047
7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834316
6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834682

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The IUPAC name of N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide (CID 18834286) is N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide.
What is the SMILES notation for N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The canonical SMILES for N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide is CC1(C)C2CCC1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)C(=O)C2.
What is the InChIKey of N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The InChIKey is YWIMOYUJBVJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-16(2)9-5-6-17(16,13(22)7-9)15(24)21-20-14(23)11-4-3-10(18)8-12(11)19/h3-4,8-9H,5-7H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide has a molecular weight of 369.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide is sourced from PubChem (CID 18834286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).