[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate

C18H15F2N3O5 — CID 27039259

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
SMILESCOc1cc(COC(=O)Cn2nnc3ccccc3c2=O)ccc1OC(F)F
InChIInChI=1S/C18H15F2N3O5/c1-26-15-8-11(6-7-14(15)28-18(19)20)10-27-16(24)9-23-17(25)12-4-2-3-5-13(12)21-22-23/h2-8,18H,9-10H2,1H3
InChIKeyZCRPBQWQZUIBDL-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.14
Rot. Bonds7

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate (PubChem CID 27039259) has the molecular formula C18H15F2N3O5 and a molecular weight of 391.33 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
PubChem CID27039259
Molecular FormulaC18H15F2N3O5
Molecular Weight391.33 g/mol
Exact Mass391.10
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
SMILESCOc1cc(COC(=O)Cn2nnc3ccccc3c2=O)ccc1OC(F)F
InChIInChI=1S/C18H15F2N3O5/c1-26-15-8-11(6-7-14(15)28-18(19)20)10-27-16(24)9-23-17(25)12-4-2-3-5-13(12)21-22-23/h2-8,18H,9-10H2,1H3
InChIKeyZCRPBQWQZUIBDL-UHFFFAOYSA-N
XLogP2.14
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate with MolForge

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 34623549
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55612014
2-(benzotriazol-1-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 46421001
[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
(4-pyrazol-1-ylphenyl)methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 27262826
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 55443704
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 3662237
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 55441298
(4-fluorophenyl)methyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 38860250
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 26818935
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 22589914
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate (CID 27039259) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate is COc1cc(COC(=O)Cn2nnc3ccccc3c2=O)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
The InChIKey is ZCRPBQWQZUIBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O5/c1-26-15-8-11(6-7-14(15)28-18(19)20)10-27-16(24)9-23-17(25)12-4-2-3-5-13(12)21-22-23/h2-8,18H,9-10H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate has a molecular weight of 391.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate is sourced from PubChem (CID 27039259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).