N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide

C12H11Cl3N4O3 — CID 9420710

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2nc(Cl)nc2Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N4O3/c1-21-8-4-9(22-2)7(3-6(8)13)16-10(20)5-19-12(15)17-11(14)18-19/h3-4H,5H2,1-2H3,(H,16,20)
InChIKeyYMDZHHSMLXMRTP-UHFFFAOYSA-N
MW365.60 g/mol
LogP2.89
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide (PubChem CID 9420710) has the molecular formula C12H11Cl3N4O3 and a molecular weight of 365.60 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
PubChem CID9420710
Molecular FormulaC12H11Cl3N4O3
Molecular Weight365.60 g/mol
Exact Mass363.99
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2nc(Cl)nc2Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N4O3/c1-21-8-4-9(22-2)7(3-6(8)13)16-10(20)5-19-12(15)17-11(14)18-19/h3-4H,5H2,1-2H3,(H,16,20)
InChIKeyYMDZHHSMLXMRTP-UHFFFAOYSA-N
XLogP2.89
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide (CID 9420710) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide is COc1cc(OC)c(NC(=O)Cn2nc(Cl)nc2Cl)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide?
The InChIKey is YMDZHHSMLXMRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4O3/c1-21-8-4-9(22-2)7(3-6(8)13)16-10(20)5-19-12(15)17-11(14)18-19/h3-4H,5H2,1-2H3,(H,16,20).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide has a molecular weight of 365.60 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 9420710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).