N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide

C16H12ClF3N4O3 — CID 7697213

IUPACN-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESCOc1ccc(NC(=O)COn2nnc3ccc(C(F)(F)F)cc32)cc1Cl
InChIInChI=1S/C16H12ClF3N4O3/c1-26-14-5-3-10(7-11(14)17)21-15(25)8-27-24-13-6-9(16(18,19)20)2-4-12(13)22-23-24/h2-7H,8H2,1H3,(H,21,25)
InChIKeyDTQCLXSXVXETGZ-UHFFFAOYSA-N
MW400.74 g/mol
LogP3.18
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide

N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (PubChem CID 7697213) has the molecular formula C16H12ClF3N4O3 and a molecular weight of 400.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
PubChem CID7697213
Molecular FormulaC16H12ClF3N4O3
Molecular Weight400.74 g/mol
Exact Mass400.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESCOc1ccc(NC(=O)COn2nnc3ccc(C(F)(F)F)cc32)cc1Cl
InChIInChI=1S/C16H12ClF3N4O3/c1-26-14-5-3-10(7-11(14)17)21-15(25)8-27-24-13-6-9(16(18,19)20)2-4-12(13)22-23-24/h2-7H,8H2,1H3,(H,21,25)
InChIKeyDTQCLXSXVXETGZ-UHFFFAOYSA-N
XLogP3.18
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.74
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697350
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
CID 4132630
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221573
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2391050
4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26054829

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (CID 7697213) is N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is COc1ccc(NC(=O)COn2nnc3ccc(C(F)(F)F)cc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The InChIKey is DTQCLXSXVXETGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O3/c1-26-14-5-3-10(7-11(14)17)21-15(25)8-27-24-13-6-9(16(18,19)20)2-4-12(13)22-23-24/h2-7H,8H2,1H3,(H,21,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide has a molecular weight of 400.74 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 7697213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).