2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide

C17H17N3O3 — CID 155530819

IUPAC2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2n[nH]c3ccccc23)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-16(21)18-17-12-5-3-4-6-13(12)19-20-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyMAVNMTTVJHUXNQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.76
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide (PubChem CID 155530819) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
PubChem CID155530819
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2n[nH]c3ccccc23)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-16(21)18-17-12-5-3-4-6-13(12)19-20-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyMAVNMTTVJHUXNQ-UHFFFAOYSA-N
XLogP2.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-3-yl)-2-(3-methylphenyl)acetamide
CID 62686567
2-(1,3-dihydro-2-benzofuran-5-yl)-N-(1H-indazol-3-yl)acetamide
CID 155948336
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 26826397
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 115610032
2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-3-yl)acetamide
CID 60735352
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
2-tert-butylsulfanyl-N-(1H-indazol-3-yl)acetamide
CID 60735552
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288266
4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
CID 154781594

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide (CID 155530819) is 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide is COc1ccc(CC(=O)Nc2n[nH]c3ccccc23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide?
The InChIKey is MAVNMTTVJHUXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-16(21)18-17-12-5-3-4-6-13(12)19-20-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide is sourced from PubChem (CID 155530819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).