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

C14H15Cl3N2O2 — CID 5062453

IUPACN-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=C1CCCCC1
InChIInChI=1S/C14H15Cl3N2O2/c15-10-6-12(17)13(7-11(10)16)21-8-14(20)19-18-9-4-2-1-3-5-9/h6-7H,1-5,8H2,(H,19,20)
InChIKeyKXQJOJSRZONPNG-UHFFFAOYSA-N
MW349.65 g/mol
LogP4.46
Rot. Bonds4

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

N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 5062453) has the molecular formula C14H15Cl3N2O2 and a molecular weight of 349.65 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID5062453
Molecular FormulaC14H15Cl3N2O2
Molecular Weight349.65 g/mol
Exact Mass348.02
IUPAC NameN-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=C1CCCCC1
InChIInChI=1S/C14H15Cl3N2O2/c15-10-6-12(17)13(7-11(10)16)21-8-14(20)19-18-9-4-2-1-3-5-9/h6-7H,1-5,8H2,(H,19,20)
InChIKeyKXQJOJSRZONPNG-UHFFFAOYSA-N
XLogP4.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 54.46
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'}

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Related Compounds

N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 1219472
N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5101967
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785656
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide (CID 5062453) is N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is KXQJOJSRZONPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O2/c15-10-6-12(17)13(7-11(10)16)21-8-14(20)19-18-9-4-2-1-3-5-9/h6-7H,1-5,8H2,(H,19,20).
What are the key properties of N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 349.65 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 5062453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).