N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide

C13H9Cl3N2O2 — CID 977929

IUPACN-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1
InChIInChI=1S/C13H9Cl3N2O2/c14-9-5-11(16)12(6-10(9)15)20-7-13(19)18-8-1-3-17-4-2-8/h1-6H,7H2,(H,17,18,19)
InChIKeyCYBJEUVAOGHPAU-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.06
Rot. Bonds4

About N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide

N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 977929) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID977929
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC NameN-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1
InChIInChI=1S/C13H9Cl3N2O2/c14-9-5-11(16)12(6-10(9)15)20-7-13(19)18-8-1-3-17-4-2-8/h1-6H,7H2,(H,17,18,19)
InChIKeyCYBJEUVAOGHPAU-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 3829743
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 831713
2-(2-bromo-4-chlorophenoxy)-N-4-pyridinylacetamide
CID 965265
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2572372
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide
CID 52589406
2-(4-chloro-2-methylphenoxy)-N-(pyridin-4-yl)acetamide
CID 823402
2-(2,4-dichlorophenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5324371
2-phenoxy-N-(pyridin-4-yl)acetamide
CID 814784
2-(2,4-Dichloro-phenoxy)-N-pyridin-3-yl-propionamide
CID 578247
2-(4-chlorophenoxy)-2-methyl-N-(pyridin-4-yl)propanamide
CID 893225
2-(2-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1343414

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide (CID 977929) is N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1.
What is the InChIKey of N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is CYBJEUVAOGHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c14-9-5-11(16)12(6-10(9)15)20-7-13(19)18-8-1-3-17-4-2-8/h1-6H,7H2,(H,17,18,19).
What are the key properties of N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide?
N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 331.59 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 977929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).