2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

C16H12ClF3N4O2 — CID 24634281

IUPAC2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C16H12ClF3N4O2/c17-10-5-6-14(26-9-16(18,19)20)12(7-10)21-15(25)8-24-13-4-2-1-3-11(13)22-23-24/h1-7H,8-9H2,(H,21,25)
InChIKeyRRTYGOATHTZEIV-UHFFFAOYSA-N
MW384.75 g/mol
LogP3.66
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 24634281) has the molecular formula C16H12ClF3N4O2 and a molecular weight of 384.75 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID24634281
Molecular FormulaC16H12ClF3N4O2
Molecular Weight384.75 g/mol
Exact Mass384.06
IUPAC Name2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C16H12ClF3N4O2/c17-10-5-6-14(26-9-16(18,19)20)12(7-10)21-15(25)8-24-13-4-2-1-3-11(13)22-23-24/h1-7H,8-9H2,(H,21,25)
InChIKeyRRTYGOATHTZEIV-UHFFFAOYSA-N
XLogP3.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 24634281) is 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(Cn1nnc2ccccc21)Nc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is RRTYGOATHTZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O2/c17-10-5-6-14(26-9-16(18,19)20)12(7-10)21-15(25)8-24-13-4-2-1-3-11(13)22-23-24/h1-7H,8-9H2,(H,21,25).
What are the key properties of 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 384.75 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 24634281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).