N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide

C22H17BrClN3O — CID 20877339

IUPACN-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)ccc1Br
InChIInChI=1S/C22H17BrClN3O/c1-14-11-17(8-9-19(14)23)25-21(28)13-27-20-10-7-16(24)12-18(20)22(26-27)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,28)
InChIKeyWRSDTUMUEQBHLV-UHFFFAOYSA-N
MW454.76 g/mol
LogP6.07
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide (PubChem CID 20877339) has the molecular formula C22H17BrClN3O and a molecular weight of 454.76 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
PubChem CID20877339
Molecular FormulaC22H17BrClN3O
Molecular Weight454.76 g/mol
Exact Mass453.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)ccc1Br
InChIInChI=1S/C22H17BrClN3O/c1-14-11-17(8-9-19(14)23)25-21(28)13-27-20-10-7-16(24)12-18(20)22(26-27)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,28)
InChIKeyWRSDTUMUEQBHLV-UHFFFAOYSA-N
XLogP6.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.76
LogP ≤ 56.07
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-(3-methylbutyl)acetamide
CID 20877329
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46420592
N-(4-bromo-3-methylphenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051666
2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide
CID 56782021
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877316
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 16875842
2-(5-chloro-3-phenylindazol-1-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 20877371
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide (CID 20877339) is N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide?
The InChIKey is WRSDTUMUEQBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClN3O/c1-14-11-17(8-9-19(14)23)25-21(28)13-27-20-10-7-16(24)12-18(20)22(26-27)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,28).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide has a molecular weight of 454.76 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide is sourced from PubChem (CID 20877339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).