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

C11H10Cl2N4O2 — CID 903481

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
SMILESC[C@H](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)/t7-/m0/s1
InChIKeyRXDKJQNXBDHXMM-ZETCQYMHSA-N
MW301.13 g/mol
LogP2.12
Rot. Bonds4

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

(2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 903481) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID903481
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
SMILESC[C@H](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)/t7-/m0/s1
InChIKeyRXDKJQNXBDHXMM-ZETCQYMHSA-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

Analyze (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide (CID 903481) is (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nn1cnnc1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is RXDKJQNXBDHXMM-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
(2S)-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 (2S)-2-(2,4-dichlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 903481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).