N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide

C14H17ClN6O3 — CID 112520798

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cc(NC(=O)N(C)C)nn1
InChIInChI=1S/C14H17ClN6O3/c1-20(2)14(23)17-12-7-21(19-18-12)8-13(22)16-10-6-9(15)4-5-11(10)24-3/h4-7H,8H2,1-3H3,(H,16,22)(H,17,23)
InChIKeyBIVZAYDOHPMHQU-UHFFFAOYSA-N
MW352.78 g/mol
LogP1.67
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide (PubChem CID 112520798) has the molecular formula C14H17ClN6O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
PubChem CID112520798
Molecular FormulaC14H17ClN6O3
Molecular Weight352.78 g/mol
Exact Mass352.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cc(NC(=O)N(C)C)nn1
InChIInChI=1S/C14H17ClN6O3/c1-20(2)14(23)17-12-7-21(19-18-12)8-13(22)16-10-6-9(15)4-5-11(10)24-3/h4-7H,8H2,1-3H3,(H,16,22)(H,17,23)
InChIKeyBIVZAYDOHPMHQU-UHFFFAOYSA-N
XLogP1.67
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112525388
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523267
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524244
N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide
CID 94941884

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide (CID 112520798) is N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cn1cc(NC(=O)N(C)C)nn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide?
The InChIKey is BIVZAYDOHPMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O3/c1-20(2)14(23)17-12-7-21(19-18-12)8-13(22)16-10-6-9(15)4-5-11(10)24-3/h4-7H,8H2,1-3H3,(H,16,22)(H,17,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide has a molecular weight of 352.78 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide is sourced from PubChem (CID 112520798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).