(2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide

C11H11ClN4O2 — CID 903170

IUPAC(2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)Nn1cnnc1
InChIInChI=1S/C11H11ClN4O2/c1-8(11(17)15-16-6-13-14-7-16)18-10-4-2-3-9(12)5-10/h2-8H,1H3,(H,15,17)/t8-/m1/s1
InChIKeyLWIFCUMMEXNUNN-MRVPVSSYSA-N
MW266.69 g/mol
LogP1.47
Rot. Bonds4

About (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide

(2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 903170) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID903170
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)Nn1cnnc1
InChIInChI=1S/C11H11ClN4O2/c1-8(11(17)15-16-6-13-14-7-16)18-10-4-2-3-9(12)5-10/h2-8H,1H3,(H,15,17)/t8-/m1/s1
InChIKeyLWIFCUMMEXNUNN-MRVPVSSYSA-N
XLogP1.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide (CID 903170) is (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)Nn1cnnc1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is LWIFCUMMEXNUNN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-8(11(17)15-16-6-13-14-7-16)18-10-4-2-3-9(12)5-10/h2-8H,1H3,(H,15,17)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide?
(2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 266.69 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 903170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).