2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide

C15H9ClF4N4O2 — CID 19018497

IUPAC2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide
SMILESNC(=O)Cn1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21
InChIInChI=1S/C15H9ClF4N4O2/c16-9-3-7(15(18,19)20)4-10(17)14(9)26-8-1-2-11-12(5-8)24(23-22-11)6-13(21)25/h1-5H,6H2,(H2,21,25)
InChIKeyKVPIAGQZCQKPBG-UHFFFAOYSA-N
MW388.71 g/mol
LogP3.52
Rot. Bonds4

About 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide

2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide (PubChem CID 19018497) has the molecular formula C15H9ClF4N4O2 and a molecular weight of 388.71 g/mol. Its IUPAC name is 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide
PubChem CID19018497
Molecular FormulaC15H9ClF4N4O2
Molecular Weight388.71 g/mol
Exact Mass388.04
IUPAC Name2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide
SMILESNC(=O)Cn1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21
InChIInChI=1S/C15H9ClF4N4O2/c16-9-3-7(15(18,19)20)4-10(17)14(9)26-8-1-2-11-12(5-8)24(23-22-11)6-13(21)25/h1-5H,6H2,(H2,21,25)
InChIKeyKVPIAGQZCQKPBG-UHFFFAOYSA-N
XLogP3.52
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetic acid;methane
CID 19083128
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]phenol
CID 15278947
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 19086705
4-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]indazol-1-yl]-2-methylbutanoic acid
CID 67866920
ethyl 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1H-benzimidazol-2-yl]propanoate
CID 19086736
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 19086708
(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 67881161
1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
CID 90892102
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
CID 14878507
1-chloro-2-(3,4-dinitrophenoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 15278945
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
CID 19807756
ethyl 2-[1-[7-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxyprop-1-en-2-ylamino]oxyacetate
CID 57163334

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide?
The IUPAC name of 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide (CID 19018497) is 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide.
What is the SMILES notation for 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide?
The canonical SMILES for 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide is NC(=O)Cn1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21.
What is the InChIKey of 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide?
The InChIKey is KVPIAGQZCQKPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N4O2/c16-9-3-7(15(18,19)20)4-10(17)14(9)26-8-1-2-11-12(5-8)24(23-22-11)6-13(21)25/h1-5H,6H2,(H2,21,25).
What are the key properties of 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide?
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide has a molecular weight of 388.71 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]acetamide is sourced from PubChem (CID 19018497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).