N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C23H24ClN3O2 — CID 166322285

IUPACN-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)C1CCc2[nH]ncc2C1
InChIInChI=1S/C23H24ClN3O2/c1-15-7-9-19(24)12-22(15)29-21-6-4-3-5-17(21)14-27(2)23(28)16-8-10-20-18(11-16)13-25-26-20/h3-7,9,12-13,16H,8,10-11,14H2,1-2H3,(H,25,26)
InChIKeyFMFWFAJBYDIKNX-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.93
Rot. Bonds5

About N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 166322285) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID166322285
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)C1CCc2[nH]ncc2C1
InChIInChI=1S/C23H24ClN3O2/c1-15-7-9-19(24)12-22(15)29-21-6-4-3-5-17(21)14-27(2)23(28)16-8-10-20-18(11-16)13-25-26-20/h3-7,9,12-13,16H,8,10-11,14H2,1-2H3,(H,25,26)
InChIKeyFMFWFAJBYDIKNX-UHFFFAOYSA-N
XLogP4.93
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 166322285) is N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is FMFWFAJBYDIKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-15-7-9-19(24)12-22(15)29-21-6-4-3-5-17(21)14-27(2)23(28)16-8-10-20-18(11-16)13-25-26-20/h3-7,9,12-13,16H,8,10-11,14H2,1-2H3,(H,25,26).
What are the key properties of N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-2-methylphenoxy)phenyl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 166322285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).