N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide

C13H12ClN5O2 — CID 94941884

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nnc(C#N)c1C
InChIInChI=1S/C13H12ClN5O2/c1-8-11(6-15)17-18-19(8)7-13(20)16-10-5-9(14)3-4-12(10)21-2/h3-5H,7H2,1-2H3,(H,16,20)
InChIKeyNANCSJCFUYMHKG-UHFFFAOYSA-N
MW305.73 g/mol
LogP1.76
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide (PubChem CID 94941884) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide
PubChem CID94941884
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nnc(C#N)c1C
InChIInChI=1S/C13H12ClN5O2/c1-8-11(6-15)17-18-19(8)7-13(20)16-10-5-9(14)3-4-12(10)21-2/h3-5H,7H2,1-2H3,(H,16,20)
InChIKeyNANCSJCFUYMHKG-UHFFFAOYSA-N
XLogP1.76
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
N-(2,5-dichlorophenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53335205
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749086
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(2,5-dichlorophenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53365864
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
5-amino-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 20853746
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 114419794
N-(5-chloro-2-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 33399213
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide (CID 94941884) is N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1nnc(C#N)c1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide?
The InChIKey is NANCSJCFUYMHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-8-11(6-15)17-18-19(8)7-13(20)16-10-5-9(14)3-4-12(10)21-2/h3-5H,7H2,1-2H3,(H,16,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide has a molecular weight of 305.73 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide is sourced from PubChem (CID 94941884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).