2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide

C17H23ClN4O2 — CID 99987343

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCc1nc([C@@H](C)NC(=O)C(C)(C)Oc2cc(C)c(Cl)c(C)c2)n[nH]1
InChIInChI=1S/C17H23ClN4O2/c1-9-7-13(8-10(2)14(9)18)24-17(5,6)16(23)19-11(3)15-20-12(4)21-22-15/h7-8,11H,1-6H3,(H,19,23)(H,20,21,22)/t11-/m1/s1
InChIKeyDLFRAMPLFBHGEI-LLVKDONJSA-N
MW350.85 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide

2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 99987343) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID99987343
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCc1nc([C@@H](C)NC(=O)C(C)(C)Oc2cc(C)c(Cl)c(C)c2)n[nH]1
InChIInChI=1S/C17H23ClN4O2/c1-9-7-13(8-10(2)14(9)18)24-17(5,6)16(23)19-11(3)15-20-12(4)21-22-15/h7-8,11H,1-6H3,(H,19,23)(H,20,21,22)/t11-/m1/s1
InChIKeyDLFRAMPLFBHGEI-LLVKDONJSA-N
XLogP3.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]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

2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride
CID 46779617
2-[[2-(3,5-dimethylphenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 82043605
1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-one
CID 78949200
N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide
CID 97270113
2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 95211892
2,4-difluoro-5-methyl-N-[2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzenesulfonamide
CID 71973898
8-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 119061171
2,3,6-trimethyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 97198391
1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 99974521
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108760150
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide
CID 156608721
2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid
CID 43651972

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide (CID 99987343) is 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide is Cc1nc([C@@H](C)NC(=O)C(C)(C)Oc2cc(C)c(Cl)c(C)c2)n[nH]1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is DLFRAMPLFBHGEI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-9-7-13(8-10(2)14(9)18)24-17(5,6)16(23)19-11(3)15-20-12(4)21-22-15/h7-8,11H,1-6H3,(H,19,23)(H,20,21,22)/t11-/m1/s1.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 350.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 99987343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).