N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide

C17H20Cl2N2O — CID 11955959

IUPACN'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide
SMILESO=C(NNc1cc(Cl)ccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20Cl2N2O/c18-13-1-2-14(19)15(6-13)20-21-16(22)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,21,22)
InChIKeyNNRYHPSBRXBWOU-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.65
Rot. Bonds3

About N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide

N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide (PubChem CID 11955959) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide
PubChem CID11955959
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC NameN'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide
SMILESO=C(NNc1cc(Cl)ccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20Cl2N2O/c18-13-1-2-14(19)15(6-13)20-21-16(22)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,21,22)
InChIKeyNNRYHPSBRXBWOU-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2,5-dichlorophenyl)adamantane-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

N'-(2-chlorophenyl)adamantane-1-carbohydrazide
CID 24864649
N-[(2,5-dichlorophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787498
N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
CID 81261991
3-(adamantane-1-carbonylamino)-4-chlorobenzoic acid
CID 23888644
N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide
CID 4285087
(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 2130210
(5S,7R)-N-(2,5-dichlorophenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2379502
N'-(1-adamantyl)-2,5-dichlorobenzohydrazide
CID 134120732
1-(1-adamantyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047976
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N-(3-amino-4-chlorophenyl)adamantane-1-carboxamide
CID 16772902
N-[4-(5-chloro-2-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398365

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide (CID 11955959) is N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide is O=C(NNc1cc(Cl)ccc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide?
The InChIKey is NNRYHPSBRXBWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c18-13-1-2-14(19)15(6-13)20-21-16(22)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,21,22).
What are the key properties of N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide?
N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide has a molecular weight of 339.27 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 11955959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).