N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide

C18H19Cl3N2O2 — CID 5101967

IUPACN-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H19Cl3N2O2/c19-13-6-15(21)16(7-14(13)20)25-8-17(24)22-23-18-11-2-9-1-10(4-11)5-12(18)3-9/h6-7,9-12H,1-5,8H2,(H,22,24)/b23-18-
InChIKeyQXTQECAPQJTEEC-NKFKGCMQSA-N
MW401.72 g/mol
LogP4.95
Rot. Bonds4

About N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide

N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 5101967) has the molecular formula C18H19Cl3N2O2 and a molecular weight of 401.72 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID5101967
Molecular FormulaC18H19Cl3N2O2
Molecular Weight401.72 g/mol
Exact Mass400.05
IUPAC NameN-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H19Cl3N2O2/c19-13-6-15(21)16(7-14(13)20)25-8-17(24)22-23-18-11-2-9-1-10(4-11)5-12(18)3-9/h6-7,9-12H,1-5,8H2,(H,22,24)/b23-18-
InChIKeyQXTQECAPQJTEEC-NKFKGCMQSA-N
XLogP4.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.72
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide 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-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3441069
N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5062453
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 1219472
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 119453282
N-(heptan-4-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4050988
N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685147
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685551
N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2525176
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide (CID 5101967) is N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is QXTQECAPQJTEEC-NKFKGCMQSA-N. The full InChI is InChI=1S/C18H19Cl3N2O2/c19-13-6-15(21)16(7-14(13)20)25-8-17(24)22-23-18-11-2-9-1-10(4-11)5-12(18)3-9/h6-7,9-12H,1-5,8H2,(H,22,24)/b23-18-.
What are the key properties of N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 401.72 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 5101967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).