2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide

C17H17ClN4O4 — CID 17419510

IUPAC2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)On2nnc3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C17H17ClN4O4/c1-10(26-22-14-8-11(18)4-6-13(14)20-21-22)17(23)19-12-5-7-15(24-2)16(9-12)25-3/h4-10H,1-3H3,(H,19,23)
InChIKeyNYNJOGMATWMCBZ-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.56
Rot. Bonds6

About 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide

2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 17419510) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID17419510
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)On2nnc3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C17H17ClN4O4/c1-10(26-22-14-8-11(18)4-6-13(14)20-21-22)17(23)19-12-5-7-15(24-2)16(9-12)25-3/h4-10H,1-3H3,(H,19,23)
InChIKeyNYNJOGMATWMCBZ-UHFFFAOYSA-N
XLogP2.56
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)propanamide
CID 7697064
(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
CID 41095144
(2S)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550497
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide
CID 7687183
(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide
CID 7668539
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511902
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate
CID 55512261
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 46624841
(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
CID 7697408

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide (CID 17419510) is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)On2nnc3ccc(Cl)cc32)cc1OC.
What is the InChIKey of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is NYNJOGMATWMCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c1-10(26-22-14-8-11(18)4-6-13(14)20-21-22)17(23)19-12-5-7-15(24-2)16(9-12)25-3/h4-10H,1-3H3,(H,19,23).
What are the key properties of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide?
2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 376.80 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 17419510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).