2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide

C24H22ClN3O — CID 20877332

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C24H22ClN3O/c1-17-7-9-18(10-8-17)13-14-26-23(29)16-28-22-12-11-20(25)15-21(22)24(27-28)19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,26,29)
InChIKeyRCIMDUYOXINLIX-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.02
Rot. Bonds6

About 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide

2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide (PubChem CID 20877332) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
PubChem CID20877332
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C24H22ClN3O/c1-17-7-9-18(10-8-17)13-14-26-23(29)16-28-22-12-11-20(25)15-21(22)24(27-28)19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,26,29)
InChIKeyRCIMDUYOXINLIX-UHFFFAOYSA-N
XLogP5.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
CID 20877329
N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 6620038
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877316
2-(5-chloro-3-phenylindazol-1-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 20877371
N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877339
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-(6-methylindazol-1-yl)acetamide
CID 22509911
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575738
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-phenylethyl)acetamide
CID 16905880
4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
CID 20877509
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 20877446

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide (CID 20877332) is 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide is Cc1ccc(CCNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide?
The InChIKey is RCIMDUYOXINLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-17-7-9-18(10-8-17)13-14-26-23(29)16-28-22-12-11-20(25)15-21(22)24(27-28)19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3,(H,26,29).
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide?
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide has a molecular weight of 403.91 g/mol, XLogP of 5.02, 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-[2-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 20877332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).