2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide

C14H16Cl2N4O — CID 6482205

IUPAC2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide
SMILESO=C(Nc1ccc2nn(C3CCCCC3)nc2c1)C(Cl)Cl
InChIInChI=1S/C14H16Cl2N4O/c15-13(16)14(21)17-9-6-7-11-12(8-9)19-20(18-11)10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,17,21)
InChIKeyKHPMMZDEXZTNAO-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.68
Rot. Bonds3

About 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide

2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide (PubChem CID 6482205) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide
PubChem CID6482205
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide
SMILESO=C(Nc1ccc2nn(C3CCCCC3)nc2c1)C(Cl)Cl
InChIInChI=1S/C14H16Cl2N4O/c15-13(16)14(21)17-9-6-7-11-12(8-9)19-20(18-11)10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,17,21)
InChIKeyKHPMMZDEXZTNAO-UHFFFAOYSA-N
XLogP3.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide (CID 6482205) is 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide is O=C(Nc1ccc2nn(C3CCCCC3)nc2c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide?
The InChIKey is KHPMMZDEXZTNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c15-13(16)14(21)17-9-6-7-11-12(8-9)19-20(18-11)10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,17,21).
What are the key properties of 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide?
2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 6482205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).