N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide

C17H16Cl3NO4 — CID 5013709

IUPACN-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl3NO4/c1-9(25-16-8-12(19)11(18)7-13(16)20)17(22)21-14-6-10(23-2)4-5-15(14)24-3/h4-9H,1-3H3,(H,21,22)
InChIKeyRIUIAGFBPZFYOV-UHFFFAOYSA-N
MW404.68 g/mol
LogP5.07
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide

N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide (PubChem CID 5013709) has the molecular formula C17H16Cl3NO4 and a molecular weight of 404.68 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
PubChem CID5013709
Molecular FormulaC17H16Cl3NO4
Molecular Weight404.68 g/mol
Exact Mass403.01
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl3NO4/c1-9(25-16-8-12(19)11(18)7-13(16)20)17(22)21-14-6-10(23-2)4-5-15(14)24-3/h4-9H,1-3H3,(H,21,22)
InChIKeyRIUIAGFBPZFYOV-UHFFFAOYSA-N
XLogP5.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 78760166
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203937
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397117
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 42905073
N-(2,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 112778600
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
CID 17360519

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide (CID 5013709) is N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide is COc1ccc(OC)c(NC(=O)C(C)Oc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The InChIKey is RIUIAGFBPZFYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO4/c1-9(25-16-8-12(19)11(18)7-13(16)20)17(22)21-14-6-10(23-2)4-5-15(14)24-3/h4-9H,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide?
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide has a molecular weight of 404.68 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide is sourced from PubChem (CID 5013709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).