2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide

C14H10ClFN4O2 — CID 2108008

IUPAC2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
SMILESO=C(COn1nnc2ccc(Cl)cc21)Nc1ccc(F)cc1
InChIInChI=1S/C14H10ClFN4O2/c15-9-1-6-12-13(7-9)20(19-18-12)22-8-14(21)17-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,21)
InChIKeyVTLWDCDAVLVOHR-UHFFFAOYSA-N
MW320.71 g/mol
LogP2.29
Rot. Bonds4

About 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide

2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide (PubChem CID 2108008) has the molecular formula C14H10ClFN4O2 and a molecular weight of 320.71 g/mol. Its IUPAC name is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
PubChem CID2108008
Molecular FormulaC14H10ClFN4O2
Molecular Weight320.71 g/mol
Exact Mass320.05
IUPAC Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
SMILESO=C(COn1nnc2ccc(Cl)cc21)Nc1ccc(F)cc1
InChIInChI=1S/C14H10ClFN4O2/c15-9-1-6-12-13(7-9)20(19-18-12)22-8-14(21)17-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,21)
InChIKeyVTLWDCDAVLVOHR-UHFFFAOYSA-N
XLogP2.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 2682734
4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26054829
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)propanamide
CID 7697064
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071
N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 4669415
N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697350
N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
CID 4132630

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide (CID 2108008) is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide is O=C(COn1nnc2ccc(Cl)cc21)Nc1ccc(F)cc1.
What is the InChIKey of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide?
The InChIKey is VTLWDCDAVLVOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O2/c15-9-1-6-12-13(7-9)20(19-18-12)22-8-14(21)17-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,21).
What are the key properties of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide?
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide has a molecular weight of 320.71 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2108008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).