2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide

C11H10Cl2N4O2 — CID 3506212

IUPAC2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nn1cnnc1
InChIInChI=1S/C11H10Cl2N4O2/c1-7(11(18)16-17-5-14-15-6-17)19-10-3-2-8(12)4-9(10)13/h2-7H,1H3,(H,16,18)
InChIKeyRXDKJQNXBDHXMM-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.12
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 3506212) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID3506212
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nn1cnnc1
InChIInChI=1S/C11H10Cl2N4O2/c1-7(11(18)16-17-5-14-15-6-17)19-10-3-2-8(12)4-9(10)13/h2-7H,1H3,(H,16,18)
InChIKeyRXDKJQNXBDHXMM-UHFFFAOYSA-N
XLogP2.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, 2-(2,4-dichlorophenoxy)-N-(s-triazol-3-yl)-
CID 99363
2-(2,4-dichlorophenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)propanamide
CID 656072
2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 772311
N-4H-1,2,4-triazol-4-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 974936
2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 2234820
2-(4-chlorophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetohydrazide
CID 2562649
2-(2,4-dichlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)propanamide
CID 2953553
2-(2-chlorophenoxy)-N'-[(1Z)-1-methyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethylidene]acetohydrazide
CID 5774004
N'-[(1Z)-1-methyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide
CID 6381781
4-[4-(2,4-dichlorophenoxy)butanoyl]-4H-1,2,4-triazol-3-amine
CID 2215979
2-(2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698936
2-(2-chloro-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865655

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide (CID 3506212) is 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nn1cnnc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is RXDKJQNXBDHXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c1-7(11(18)16-17-5-14-15-6-17)19-10-3-2-8(12)4-9(10)13/h2-7H,1H3,(H,16,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 301.13 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 3506212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).