3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide

C23H20ClN3O2 — CID 135693464

IUPAC3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cc2c(Cc3ccccc3)[nH]nc2cc1O
InChIInChI=1S/C23H20ClN3O2/c1-27(14-16-9-5-6-10-19(16)24)23(29)18-12-17-20(11-15-7-3-2-4-8-15)25-26-21(17)13-22(18)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)
InChIKeyGXKCJNGRIAMMGM-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.78
Rot. Bonds5

About 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide

3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide (PubChem CID 135693464) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
PubChem CID135693464
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cc2c(Cc3ccccc3)[nH]nc2cc1O
InChIInChI=1S/C23H20ClN3O2/c1-27(14-16-9-5-6-10-19(16)24)23(29)18-12-17-20(11-15-7-3-2-4-8-15)25-26-21(17)13-22(18)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)
InChIKeyGXKCJNGRIAMMGM-UHFFFAOYSA-N
XLogP4.78
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
CID 135581796
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
CID 135582022
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
CID 135899141
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965
N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
CID 143307644
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
CID 81238660
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide (CID 135693464) is 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1cc2c(Cc3ccccc3)[nH]nc2cc1O.
What is the InChIKey of 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?
The InChIKey is GXKCJNGRIAMMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-27(14-16-9-5-6-10-19(16)24)23(29)18-12-17-20(11-15-7-3-2-4-8-15)25-26-21(17)13-22(18)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26).
What are the key properties of 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide?
3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 135693464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).