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

C16H12ClF3N4O2 — CID 7697350

IUPACN-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESCc1cc(Cl)ccc1NC(=O)COn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H12ClF3N4O2/c1-9-6-11(17)3-5-12(9)21-15(25)8-26-24-14-7-10(16(18,19)20)2-4-13(14)22-23-24/h2-7H,8H2,1H3,(H,21,25)
InChIKeyZRTPXRGWPVPPEN-UHFFFAOYSA-N
MW384.75 g/mol
LogP3.48
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (PubChem CID 7697350) has the molecular formula C16H12ClF3N4O2 and a molecular weight of 384.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
PubChem CID7697350
Molecular FormulaC16H12ClF3N4O2
Molecular Weight384.75 g/mol
Exact Mass384.06
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESCc1cc(Cl)ccc1NC(=O)COn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H12ClF3N4O2/c1-9-6-11(17)3-5-12(9)21-15(25)8-26-24-14-7-10(16(18,19)20)2-4-13(14)22-23-24/h2-7H,8H2,1H3,(H,21,25)
InChIKeyZRTPXRGWPVPPEN-UHFFFAOYSA-N
XLogP3.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697213
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468
N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697368
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetic acid
CID 45034960
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
N-(5-chloro-2-methoxyphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701547
ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7696888

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (CID 7697350) is N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is Cc1cc(Cl)ccc1NC(=O)COn1nnc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The InChIKey is ZRTPXRGWPVPPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O2/c1-9-6-11(17)3-5-12(9)21-15(25)8-26-24-14-7-10(16(18,19)20)2-4-13(14)22-23-24/h2-7H,8H2,1H3,(H,21,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide has a molecular weight of 384.75 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 7697350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).