2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide

C11H12ClN3O — CID 166414870

IUPAC2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
SMILESCc1nn(C)c2cc(NC(=O)CCl)ccc12
InChIInChI=1S/C11H12ClN3O/c1-7-9-4-3-8(13-11(16)6-12)5-10(9)15(2)14-7/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyDRVAFCTWMWKXGN-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.06
Rot. Bonds2

About 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide

2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide (PubChem CID 166414870) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
PubChem CID166414870
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
SMILESCc1nn(C)c2cc(NC(=O)CCl)ccc12
InChIInChI=1S/C11H12ClN3O/c1-7-9-4-3-8(13-11(16)6-12)5-10(9)15(2)14-7/h3-5H,6H2,1-2H3,(H,13,16)
InChIKeyDRVAFCTWMWKXGN-UHFFFAOYSA-N
XLogP2.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-2H-indazol-6-amine
CID 11542827
3-(chloromethyl)-1-methyl-1H-indazole
CID 7537470
1,3-Dimethyl-1H-indazol-6-amine
CID 19354457
N-(1-Acetyl-1H-indazol-6-yl)acetamide
CID 308115
N-[(1-methylindazol-3-yl)methyl]prop-2-enamide
CID 132317391
2-Methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)indazole
CID 172439329
1-Methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)indazole
CID 172444062
N-[(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-chloroacetamide
CID 16227182
N-(1H-indazol-6-yl)acetamide
CID 4198553
4-(3-methyl-1H-indazol-1-yl)-4-oxo-N-propylbutanamide
CID 22510481
N-(3-methoxypropyl)-3-(3-methylindazol-1-yl)propanamide
CID 52422361
N-(2,3-Dimethylindazol-6-yl)prop-2-enamide
CID 132317390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide?
The IUPAC name of 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide (CID 166414870) is 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide is Cc1nn(C)c2cc(NC(=O)CCl)ccc12.
What is the InChIKey of 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide?
The InChIKey is DRVAFCTWMWKXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-9-4-3-8(13-11(16)6-12)5-10(9)15(2)14-7/h3-5H,6H2,1-2H3,(H,13,16).
What are the key properties of 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide?
2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide has a molecular weight of 237.69 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide is sourced from PubChem (CID 166414870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).