N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide

C17H16ClN3O — CID 22509830

IUPACN-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1nc(C)c2ccccc21
InChIInChI=1S/C17H16ClN3O/c1-11-14(18)7-5-8-15(11)19-17(22)10-21-16-9-4-3-6-13(16)12(2)20-21/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyDETIODMPDWCPTQ-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.95
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide (PubChem CID 22509830) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
PubChem CID22509830
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1nc(C)c2ccccc21
InChIInChI=1S/C17H16ClN3O/c1-11-14(18)7-5-8-15(11)19-17(22)10-21-16-9-4-3-6-13(16)12(2)20-21/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyDETIODMPDWCPTQ-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylindazol-1-yl)-N-(2-methylphenyl)acetamide
CID 20886113
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912920
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide (CID 22509830) is N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cn1nc(C)c2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide?
The InChIKey is DETIODMPDWCPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-14(18)7-5-8-15(11)19-17(22)10-21-16-9-4-3-6-13(16)12(2)20-21/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide has a molecular weight of 313.79 g/mol, XLogP of 3.95, 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-(3-methylindazol-1-yl)acetamide is sourced from PubChem (CID 22509830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).