(2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

C11H11ClN4O2 — CID 30863929

IUPAC(2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H11ClN4O2/c1-7(10(17)15-11-13-6-14-16-11)18-9-5-3-2-4-8(9)12/h2-7H,1H3,(H2,13,14,15,16,17)/t7-/m0/s1
InChIKeyFMGDVOCHQLAQMH-ZETCQYMHSA-N
MW266.69 g/mol
LogP1.86
Rot. Bonds4

About (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

(2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30863929) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30863929
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H11ClN4O2/c1-7(10(17)15-11-13-6-14-16-11)18-9-5-3-2-4-8(9)12/h2-7H,1H3,(H2,13,14,15,16,17)/t7-/m0/s1
InChIKeyFMGDVOCHQLAQMH-ZETCQYMHSA-N
XLogP1.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-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

Related Compounds

(2S)-2-(2-bromo-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 92861794
2-(2-chlorophenoxy)-N-(3-methoxy-2-pyridinyl)propanamide
CID 51107977
2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115619839
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(2-chlorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 46581275
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
(2R)-2-(2-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 39166910
(2S)-2-(2-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100566516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30863929) is (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is C[C@H](Oc1ccccc1Cl)C(=O)Nc1ncn[nH]1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is FMGDVOCHQLAQMH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-7(10(17)15-11-13-6-14-16-11)18-9-5-3-2-4-8(9)12/h2-7H,1H3,(H2,13,14,15,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
(2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 266.69 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30863929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).