N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide

C18H20Cl2N2O2 — CID 4285087

IUPACN'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c19-14-4-13(5-15(20)6-14)16(23)21-22-17(24)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2,(H,21,23)(H,22,24)
InChIKeyFUUBKZWGTYIHCC-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.97
Rot. Bonds2

About N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide

N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide (PubChem CID 4285087) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide
PubChem CID4285087
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC NameN'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c19-14-4-13(5-15(20)6-14)16(23)21-22-17(24)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2,(H,21,23)(H,22,24)
InChIKeyFUUBKZWGTYIHCC-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide
CID 3146003
(5S,7R)-3-chloro-N'-(3-chlorobenzoyl)adamantane-1-carbohydrazide
CID 7742380
N'-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)adamantane-1-carbohydrazide
CID 3638454
N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride
CID 21235376
N-[(2S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9206826
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide
CID 11955959
N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 3641175
(5R,7R)-N'-benzoyl-3-chloroadamantane-1-carbohydrazide
CID 98390702
N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide
CID 20695068
N'-(2-chlorophenyl)adamantane-1-carbohydrazide
CID 24864649
N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
CID 81261991

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide (CID 4285087) is N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide?
The InChIKey is FUUBKZWGTYIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c19-14-4-13(5-15(20)6-14)16(23)21-22-17(24)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2,(H,21,23)(H,22,24).
What are the key properties of N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide?
N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide has a molecular weight of 367.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 4285087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).