N'-(1-adamantyl)-2,5-dichlorobenzohydrazide

C17H20Cl2N2O — CID 134120732

IUPACN'-(1-adamantyl)-2,5-dichlorobenzohydrazide
SMILESO=C(NNC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H20Cl2N2O/c18-13-1-2-15(19)14(6-13)16(22)20-21-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,21H,3-5,7-9H2,(H,20,22)
InChIKeyBONJRIZTOJPBDL-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.20
Rot. Bonds3

About N'-(1-adamantyl)-2,5-dichlorobenzohydrazide

N'-(1-adamantyl)-2,5-dichlorobenzohydrazide (PubChem CID 134120732) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is N'-(1-adamantyl)-2,5-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-(1-adamantyl)-2,5-dichlorobenzohydrazide
PubChem CID134120732
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC NameN'-(1-adamantyl)-2,5-dichlorobenzohydrazide
SMILESO=C(NNC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H20Cl2N2O/c18-13-1-2-15(19)14(6-13)16(22)20-21-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,21H,3-5,7-9H2,(H,20,22)
InChIKeyBONJRIZTOJPBDL-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(1-adamantyl)-2,5-dichlorobenzohydrazide 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

N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,5-dichlorobenzamide
CID 108539745
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3309301
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide
CID 7471208
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
CID 50957907
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide
CID 11955959
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
1-(1-adamantyl)-3-[(2,4-dichlorophenyl)methylideneamino]urea
CID 4001984

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-2,5-dichlorobenzohydrazide?
The IUPAC name of N'-(1-adamantyl)-2,5-dichlorobenzohydrazide (CID 134120732) is N'-(1-adamantyl)-2,5-dichlorobenzohydrazide.
What is the SMILES notation for N'-(1-adamantyl)-2,5-dichlorobenzohydrazide?
The canonical SMILES for N'-(1-adamantyl)-2,5-dichlorobenzohydrazide is O=C(NNC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(1-adamantyl)-2,5-dichlorobenzohydrazide?
The InChIKey is BONJRIZTOJPBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c18-13-1-2-15(19)14(6-13)16(22)20-21-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,21H,3-5,7-9H2,(H,20,22).
What are the key properties of N'-(1-adamantyl)-2,5-dichlorobenzohydrazide?
N'-(1-adamantyl)-2,5-dichlorobenzohydrazide has a molecular weight of 339.27 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-2,5-dichlorobenzohydrazide is sourced from PubChem (CID 134120732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).