N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide

C18H18ClN3O — CID 22509911

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
SMILESCc1ccc2cnn(CC(=O)NCCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H18ClN3O/c1-13-2-5-15-11-21-22(17(15)10-13)12-18(23)20-9-8-14-3-6-16(19)7-4-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)
InChIKeyUNDURKFMPCTJRV-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide (PubChem CID 22509911) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
PubChem CID22509911
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
SMILESCc1ccc2cnn(CC(=O)NCCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H18ClN3O/c1-13-2-5-15-11-21-22(17(15)10-13)12-18(23)20-9-8-14-3-6-16(19)7-4-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)
InChIKeyUNDURKFMPCTJRV-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
N-(3-methoxypropyl)-2-(6-methylindazol-1-yl)acetamide
CID 22509905
N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
CID 22510255
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 22509892
N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509900
N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884640
N-[3-(4-chlorophenyl)propyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 46969447
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide (CID 22509911) is N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide is Cc1ccc2cnn(CC(=O)NCCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide?
The InChIKey is UNDURKFMPCTJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-13-2-5-15-11-21-22(17(15)10-13)12-18(23)20-9-8-14-3-6-16(19)7-4-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide has a molecular weight of 327.82 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide is sourced from PubChem (CID 22509911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).