N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide

C10H7Cl3N4O2 — CID 974936

IUPACN-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nn1cnnc1
InChIInChI=1S/C10H7Cl3N4O2/c11-6-1-8(13)9(2-7(6)12)19-3-10(18)16-17-4-14-15-5-17/h1-2,4-5H,3H2,(H,16,18)
InChIKeyXGHGEZDRLUSQCC-UHFFFAOYSA-N
MW321.55 g/mol
LogP2.39
Rot. Bonds4

About N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 974936) has the molecular formula C10H7Cl3N4O2 and a molecular weight of 321.55 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID974936
Molecular FormulaC10H7Cl3N4O2
Molecular Weight321.55 g/mol
Exact Mass319.96
IUPAC NameN-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nn1cnnc1
InChIInChI=1S/C10H7Cl3N4O2/c11-6-1-8(13)9(2-7(6)12)19-3-10(18)16-17-4-14-15-5-17/h1-2,4-5H,3H2,(H,16,18)
InChIKeyXGHGEZDRLUSQCC-UHFFFAOYSA-N
XLogP2.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(2,4-dichlorophenoxy)-N-(s-triazol-3-yl)-
CID 99363
2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 772311
2-(2,4-dichlorophenoxy)-N-(4H-1,2,4-triazol-4-yl)propanamide
CID 3506212
2-(2,5-dichlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719082
4-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)butanamide
CID 4055136
1H-1,2,4-triazol-5-amine;2-(2,4,5-trichlorophenoxy)acetic acid
CID 302877
2-(3-chloro-4-fluorophenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 2970363
1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 891580
N-4H-1,2,4-triazol-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 977995
2-(4-Chlorophenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 588068
2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
CID 4454060
2-(2,4-Dichlorophenoxy)-2-(1,2,4-triazol-1-yl)acetamide
CID 53995796

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 974936) is N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)Nn1cnnc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is XGHGEZDRLUSQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4O2/c11-6-1-8(13)9(2-7(6)12)19-3-10(18)16-17-4-14-15-5-17/h1-2,4-5H,3H2,(H,16,18).
What are the key properties of N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 321.55 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 974936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).