2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide

C12H14ClN5O3 — CID 4669415

IUPAC2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)COn1nnc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN5O3/c1-7(2)14-12(20)15-11(19)6-21-18-10-5-8(13)3-4-9(10)16-17-18/h3-5,7H,6H2,1-2H3,(H2,14,15,19,20)
InChIKeyXZVRMWXWQXZKJM-UHFFFAOYSA-N
MW311.73 g/mol
LogP0.75
Rot. Bonds4

About 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide

2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 4669415) has the molecular formula C12H14ClN5O3 and a molecular weight of 311.73 g/mol. Its IUPAC name is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID4669415
Molecular FormulaC12H14ClN5O3
Molecular Weight311.73 g/mol
Exact Mass311.08
IUPAC Name2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)COn1nnc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN5O3/c1-7(2)14-12(20)15-11(19)6-21-18-10-5-8(13)3-4-9(10)16-17-18/h3-5,7H,6H2,1-2H3,(H2,14,15,19,20)
InChIKeyXZVRMWXWQXZKJM-UHFFFAOYSA-N
XLogP0.75
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 2682734
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
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-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26054829
2-(6-chlorobenzotriazol-1-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 7696871
ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7696888
2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide
CID 18076947
N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 7696724
N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697350
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide (CID 4669415) is 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)COn1nnc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is XZVRMWXWQXZKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O3/c1-7(2)14-12(20)15-11(19)6-21-18-10-5-8(13)3-4-9(10)16-17-18/h3-5,7H,6H2,1-2H3,(H2,14,15,19,20).
What are the key properties of 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide?
2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 311.73 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 4669415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).