N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide

C15H17Cl3N2O2 — CID 1219472

IUPACN-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC[C@@H]1CCCCC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl3N2O2/c1-9-4-2-3-5-13(9)19-20-15(21)8-22-14-7-11(17)10(16)6-12(14)18/h6-7,9H,2-5,8H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyNFYSNJJNCHBBNP-SECBINFHSA-N
MW363.67 g/mol
LogP4.71
Rot. Bonds4

About N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide

N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 1219472) has the molecular formula C15H17Cl3N2O2 and a molecular weight of 363.67 g/mol. Its IUPAC name is N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID1219472
Molecular FormulaC15H17Cl3N2O2
Molecular Weight363.67 g/mol
Exact Mass362.04
IUPAC NameN-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC[C@@H]1CCCCC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl3N2O2/c1-9-4-2-3-5-13(9)19-20-15(21)8-22-14-7-11(17)10(16)6-12(14)18/h6-7,9H,2-5,8H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyNFYSNJJNCHBBNP-SECBINFHSA-N
XLogP4.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.67
LogP ≤ 54.71
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-(cyclohexylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5062453
N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392334
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392333
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929726
2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 7929758
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
N-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5101967
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
CID 4657097
2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5333078
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 1219472) is N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide is C[C@@H]1CCCCC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is NFYSNJJNCHBBNP-SECBINFHSA-N. The full InChI is InChI=1S/C15H17Cl3N2O2/c1-9-4-2-3-5-13(9)19-20-15(21)8-22-14-7-11(17)10(16)6-12(14)18/h6-7,9H,2-5,8H2,1H3,(H,20,21)/t9-/m1/s1.
What are the key properties of N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 363.67 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 1219472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).