1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide

C23H20ClN3O — CID 53084776

IUPAC1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C23H20ClN3O/c1-16-5-2-3-7-19(16)13-25-23(28)18-9-10-20-14-26-27(22(20)12-18)15-17-6-4-8-21(24)11-17/h2-12,14H,13,15H2,1H3,(H,25,28)
InChIKeyQXCSTGHZMLFBHB-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.98
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide

1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide (PubChem CID 53084776) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
PubChem CID53084776
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C23H20ClN3O/c1-16-5-2-3-7-19(16)13-25-23(28)18-9-10-20-14-26-27(22(20)12-18)15-17-6-4-8-21(24)11-17/h2-12,14H,13,15H2,1H3,(H,25,28)
InChIKeyQXCSTGHZMLFBHB-UHFFFAOYSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
CID 53012821
1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
CID 53084774
1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
CID 53034345
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 53084695
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
4-[[[1-[(3-chlorophenyl)methyl]-5-phenylindazole-7-carbonyl]amino]methyl]benzoic acid
CID 176772981
N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
CID 53034406
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide (CID 53084776) is 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide is Cc1ccccc1CNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide?
The InChIKey is QXCSTGHZMLFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-16-5-2-3-7-19(16)13-25-23(28)18-9-10-20-14-26-27(22(20)12-18)15-17-6-4-8-21(24)11-17/h2-12,14H,13,15H2,1H3,(H,25,28).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53084776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).