2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide

C20H22ClN3O — CID 20877329

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C20H22ClN3O/c1-14(2)10-11-22-19(25)13-24-18-9-8-16(21)12-17(18)20(23-24)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)
InChIKeyBOZAAYIEUUBQCW-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.52
Rot. Bonds6

About 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide

2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 20877329) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID20877329
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C20H22ClN3O/c1-14(2)10-11-22-19(25)13-24-18-9-8-16(21)12-17(18)20(23-24)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)
InChIKeyBOZAAYIEUUBQCW-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 6620038
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
2-(5-chloro-3-phenylindazol-1-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 20877371
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877316
N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877339
4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
CID 20877509
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
CID 12819465
2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 20877389
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 20877446
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 20877468
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
ethyl 4-[4-(5-chloro-3-phenylindazol-1-yl)butanoylamino]piperidine-1-carboxylate
CID 46259697

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide (CID 20877329) is 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is BOZAAYIEUUBQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-14(2)10-11-22-19(25)13-24-18-9-8-16(21)12-17(18)20(23-24)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide?
2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 355.87 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 20877329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).