N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide

C17H15Cl3N2O2 — CID 19685205

IUPACN-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-11(7-12-5-3-2-4-6-12)21-22-17(23)10-24-16-9-14(19)13(18)8-15(16)20/h2-6,8-9H,7,10H2,1H3,(H,22,23)/b21-11+
InChIKeyWSWTZDSBYZRONY-SRZZPIQSSA-N
MW385.68 g/mol
LogP4.76
Rot. Bonds6

About N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 19685205) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID19685205
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC NameN-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-11(7-12-5-3-2-4-6-12)21-22-17(23)10-24-16-9-14(19)13(18)8-15(16)20/h2-6,8-9H,7,10H2,1H3,(H,22,23)/b21-11+
InChIKeyWSWTZDSBYZRONY-SRZZPIQSSA-N
XLogP4.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.76
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

2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4155811
N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685147
N-[(E)-(3-methyl-1-phenylbutylidene)amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6048682
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685551
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6018865
N-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594
N-(heptan-4-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4050988
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 19685205) is N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is C/C(Cc1ccccc1)=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is WSWTZDSBYZRONY-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c1-11(7-12-5-3-2-4-6-12)21-22-17(23)10-24-16-9-14(19)13(18)8-15(16)20/h2-6,8-9H,7,10H2,1H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 385.68 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 19685205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).