N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide

C16H14ClN3O — CID 20885235

IUPACN-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-11-13(17)6-4-7-14(11)19-16(21)10-20-15-8-3-2-5-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21)
InChIKeyBAHDXJCAHCBZJJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.64
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide

N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide (PubChem CID 20885235) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
PubChem CID20885235
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-11-13(17)6-4-7-14(11)19-16(21)10-20-15-8-3-2-5-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21)
InChIKeyBAHDXJCAHCBZJJ-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912920
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide (CID 20885235) is N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide is Cc1c(Cl)cccc1NC(=O)Cn1ncc2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide?
The InChIKey is BAHDXJCAHCBZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-13(17)6-4-7-14(11)19-16(21)10-20-15-8-3-2-5-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide?
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide has a molecular weight of 299.76 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 20885235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).