[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C18H14F2N4O5 — CID 55373906

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N4O5/c19-18(20)29-12-7-5-11(6-8-12)17(27)21-15(25)10-28-16(26)9-24-14-4-2-1-3-13(14)22-23-24/h1-8,18H,9-10H2,(H,21,25,27)
InChIKeyOXKPTHAEWXUQLK-UHFFFAOYSA-N
MW404.33 g/mol
LogP1.53
Rot. Bonds7

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 55373906) has the molecular formula C18H14F2N4O5 and a molecular weight of 404.33 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID55373906
Molecular FormulaC18H14F2N4O5
Molecular Weight404.33 g/mol
Exact Mass404.09
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N4O5/c19-18(20)29-12-7-5-11(6-8-12)17(27)21-15(25)10-28-16(26)9-24-14-4-2-1-3-13(14)22-23-24/h1-8,18H,9-10H2,(H,21,25,27)
InChIKeyOXKPTHAEWXUQLK-UHFFFAOYSA-N
XLogP1.53
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate with MolForge

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Related Compounds

4-Methoxy-benzoic acid N'-{2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-acetyl}-hydrazide
CID 3229068
Furan-2-carboxylic acid (4-benzotriazol-1-ylmethyl-phenyl)-amide
CID 645142
Benzotriazol-1-yl-acetic acid 2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl ester
CID 653067
2-[(2-Benzotriazol-1-yl-acetyl)-butyl-amino]-N-(2-methoxy-ethyl)-2-(4-methoxy-phenyl)-acetamide
CID 654488
[2-[[4-(Difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 2520259
N-(1-benzyl-7-fluorobenzotriazol-4-yl)furan-2-carboxamide
CID 177851771
[2-(2-Methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2357447
(4-Ethoxyphenyl)-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone
CID 1469605
[4-(5-Fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 1469814
N-[1-(benzotriazol-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 25121570
3-fluoro-N-[(3-methylbenzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 146590814
3-(1h-Benzo[d][1,2,3]triazol-1-yl)-1-(4-methoxyphenyl)-1-oxopropan-2-yl benzoate
CID 24850095

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 55373906) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is O=C(COC(=O)Cn1nnc2ccccc21)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is OXKPTHAEWXUQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O5/c19-18(20)29-12-7-5-11(6-8-12)17(27)21-15(25)10-28-16(26)9-24-14-4-2-1-3-13(14)22-23-24/h1-8,18H,9-10H2,(H,21,25,27).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 404.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 55373906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).