7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide

C17H15BrClN3O — CID 156526138

IUPAC7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide
SMILESCc1ccc2c(C(=O)NCc3ccc(Cl)cc3)nn(C)c2c1Br
InChIInChI=1S/C17H15BrClN3O/c1-10-3-8-13-15(21-22(2)16(13)14(10)18)17(23)20-9-11-4-6-12(19)7-5-11/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyPFOCEFOVVTYOSP-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.23
Rot. Bonds3

About 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide

7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide (PubChem CID 156526138) has the molecular formula C17H15BrClN3O and a molecular weight of 392.68 g/mol. Its IUPAC name is 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide
PubChem CID156526138
Molecular FormulaC17H15BrClN3O
Molecular Weight392.68 g/mol
Exact Mass391.01
IUPAC Name7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide
SMILESCc1ccc2c(C(=O)NCc3ccc(Cl)cc3)nn(C)c2c1Br
InChIInChI=1S/C17H15BrClN3O/c1-10-3-8-13-15(21-22(2)16(13)14(10)18)17(23)20-9-11-4-6-12(19)7-5-11/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyPFOCEFOVVTYOSP-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide
CID 10134777
N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 170928558
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858337
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066637
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide?
The IUPAC name of 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide (CID 156526138) is 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide.
What is the SMILES notation for 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide?
The canonical SMILES for 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide is Cc1ccc2c(C(=O)NCc3ccc(Cl)cc3)nn(C)c2c1Br.
What is the InChIKey of 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide?
The InChIKey is PFOCEFOVVTYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O/c1-10-3-8-13-15(21-22(2)16(13)14(10)18)17(23)20-9-11-4-6-12(19)7-5-11/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide?
7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide has a molecular weight of 392.68 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide is sourced from PubChem (CID 156526138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).