2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide

C9H9ClN4O — CID 6482210

IUPAC2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide
SMILESCn1nc2ccc(NC(=O)CCl)cc2n1
InChIInChI=1S/C9H9ClN4O/c1-14-12-7-3-2-6(4-8(7)13-14)11-9(15)5-10/h2-4H,5H2,1H3,(H,11,15)
InChIKeyHQMROMKZKYCJAY-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.15
Rot. Bonds2

About 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide

2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide (PubChem CID 6482210) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide
PubChem CID6482210
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide
SMILESCn1nc2ccc(NC(=O)CCl)cc2n1
InChIInChI=1S/C9H9ClN4O/c1-14-12-7-3-2-6(4-8(7)13-14)11-9(15)5-10/h2-4H,5H2,1H3,(H,11,15)
InChIKeyHQMROMKZKYCJAY-UHFFFAOYSA-N
XLogP1.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
CID 648531
N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 652622
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864
N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
CID 56683400
2,2,2-Trifluoro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)acetamide
CID 627833
N-2,1,3-benzothiadiazol-5-yl-2-chloroacetamide
CID 1120455
N-[4-(benzotriazol-2-yl)phenyl]acetamide
CID 85734055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide (CID 6482210) is 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide is Cn1nc2ccc(NC(=O)CCl)cc2n1.
What is the InChIKey of 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide?
The InChIKey is HQMROMKZKYCJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-14-12-7-3-2-6(4-8(7)13-14)11-9(15)5-10/h2-4H,5H2,1H3,(H,11,15).
What are the key properties of 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide?
2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide has a molecular weight of 224.65 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 6482210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).