N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide

C17H16ClN3O2 — CID 90609202

IUPACN-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2nn1C
InChIInChI=1S/C17H16ClN3O2/c1-10-13(18)5-4-6-14(10)19-16(22)11-7-8-12-15(9-11)20-21(2)17(12)23-3/h4-9H,1-3H3,(H,19,22)
InChIKeyGTRSVIBPJVZLDV-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.80
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide

N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide (PubChem CID 90609202) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide
PubChem CID90609202
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2nn1C
InChIInChI=1S/C17H16ClN3O2/c1-10-13(18)5-4-6-14(10)19-16(22)11-7-8-12-15(9-11)20-21(2)17(12)23-3/h4-9H,1-3H3,(H,19,22)
InChIKeyGTRSVIBPJVZLDV-UHFFFAOYSA-N
XLogP3.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-cycloheptyl-3-methoxy-2-methylindazole-6-carboxamide
CID 90609130
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
CID 56545392
N-(3-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042917

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide (CID 90609202) is N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide is COc1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2nn1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide?
The InChIKey is GTRSVIBPJVZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-13(18)5-4-6-14(10)19-16(22)11-7-8-12-15(9-11)20-21(2)17(12)23-3/h4-9H,1-3H3,(H,19,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide?
N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-methoxy-2-methylindazole-6-carboxamide is sourced from PubChem (CID 90609202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).