2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

C13H14ClN5O3 — CID 112521508

IUPAC2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(C)=O)nn2)cc1Cl
InChIInChI=1S/C13H14ClN5O3/c1-8(20)15-12-6-19(18-17-12)7-13(21)16-9-3-4-11(22-2)10(14)5-9/h3-6H,7H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyFVTQBWHAYJWAQV-UHFFFAOYSA-N
MW323.74 g/mol
LogP1.54
Rot. Bonds5

About 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 112521508) has the molecular formula C13H14ClN5O3 and a molecular weight of 323.74 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID112521508
Molecular FormulaC13H14ClN5O3
Molecular Weight323.74 g/mol
Exact Mass323.08
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(C)=O)nn2)cc1Cl
InChIInChI=1S/C13H14ClN5O3/c1-8(20)15-12-6-19(18-17-12)7-13(21)16-9-3-4-11(22-2)10(14)5-9/h3-6H,7H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyFVTQBWHAYJWAQV-UHFFFAOYSA-N
XLogP1.54
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 116642136
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 60548379
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
ethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241516
2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 112525060
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 112521508) is 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(NC(C)=O)nn2)cc1Cl.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is FVTQBWHAYJWAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O3/c1-8(20)15-12-6-19(18-17-12)7-13(21)16-9-3-4-11(22-2)10(14)5-9/h3-6H,7H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 323.74 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 112521508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).