2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide

C15H19ClN4O2 — CID 18076947

IUPAC2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)COn1nnc2ccc(Cl)cc21)C1CCCCC1
InChIInChI=1S/C15H19ClN4O2/c1-19(12-5-3-2-4-6-12)15(21)10-22-20-14-9-11(16)7-8-13(14)17-18-20/h7-9,12H,2-6,10H2,1H3
InChIKeyKXPMPOYQFKJEOV-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.30
Rot. Bonds4

About 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide

2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide (PubChem CID 18076947) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide
PubChem CID18076947
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)COn1nnc2ccc(Cl)cc21)C1CCCCC1
InChIInChI=1S/C15H19ClN4O2/c1-19(12-5-3-2-4-6-12)15(21)10-22-20-14-9-11(16)7-8-13(14)17-18-20/h7-9,12H,2-6,10H2,1H3
InChIKeyKXPMPOYQFKJEOV-UHFFFAOYSA-N
XLogP2.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone
CID 7696725
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 7696724
ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7696888
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
6-chloro-1-(3-methoxypropoxy)benzotriazole
CID 75522050
N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 28633074
4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26054829

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide (CID 18076947) is 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide is CN(C(=O)COn1nnc2ccc(Cl)cc21)C1CCCCC1.
What is the InChIKey of 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide?
The InChIKey is KXPMPOYQFKJEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-19(12-5-3-2-4-6-12)15(21)10-22-20-14-9-11(16)7-8-13(14)17-18-20/h7-9,12H,2-6,10H2,1H3.
What are the key properties of 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide?
2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide has a molecular weight of 322.80 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 18076947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).