N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide

C19H23ClN2O2 — CID 6108547

IUPACN-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23ClN2O2/c1-11(19-8-12-4-13(9-19)6-14(5-12)10-19)21-22-18(24)16-7-15(20)2-3-17(16)23/h2-3,7,12-14,23H,4-6,8-10H2,1H3,(H,22,24)/b21-11-
InChIKeyXXCBCFIKWJSURA-NHDPSOOVSA-N
MW346.86 g/mol
LogP4.37
Rot. Bonds3

About N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide

N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide (PubChem CID 6108547) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide
PubChem CID6108547
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23ClN2O2/c1-11(19-8-12-4-13(9-19)6-14(5-12)10-19)21-22-18(24)16-7-15(20)2-3-17(16)23/h2-3,7,12-14,23H,4-6,8-10H2,1H3,(H,22,24)/b21-11-
InChIKeyXXCBCFIKWJSURA-NHDPSOOVSA-N
XLogP4.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide 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

5-chloro-N'-(cyclohexylmethylene)-2-hydroxybenzohydrazide
CID 9616054
N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]benzohydrazide
CID 135578375
N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide
CID 840860
2-hydroxy-N'-tricyclo[3.3.1.1~3,7~]dec-2-ylidenebenzohydrazide
CID 910009
Benzoic acid, 2-hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 5720848
(E)-3-chloro-N'-(1-(2-hydroxyphenyl)ethylidene)benzohydrazide
CID 135421658
N'-(4-tert-butylcyclohexylidene)-2-hydroxybenzohydrazide
CID 749633
N'-(3-(4-Chlorophenyl)-1-((4-chlorophenyl)(cyano)methyl)-3-cyano-2-oxopropylidene)-2-hydroxybenzohydrazide
CID 5388369
N-[(E)-[1,4-bis(4-chlorophenyl)-1,4-dicyano-3-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 5465099
N-[(Z)-[1-(5-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethylidene]amino]-2-hydroxybenzamide
CID 136382919
N-[[1-(5-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethylidene]amino]-2-hydroxybenzamide
CID 136382920
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135717235

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide (CID 6108547) is N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide is C/C(=N/NC(=O)c1cc(Cl)ccc1O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide?
The InChIKey is XXCBCFIKWJSURA-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-11(19-8-12-4-13(9-19)6-14(5-12)10-19)21-22-18(24)16-7-15(20)2-3-17(16)23/h2-3,7,12-14,23H,4-6,8-10H2,1H3,(H,22,24)/b21-11-.
What are the key properties of N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide?
N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide has a molecular weight of 346.86 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 6108547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).