N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide

C18H15F3N4O3 — CID 9070389

IUPACN-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H15F3N4O3/c1-25(17(27)16-13-4-2-3-5-14(13)23-24-16)10-15(26)22-11-6-8-12(9-7-11)28-18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24)
InChIKeyTYISBOWEYQSDCL-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide

N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide (PubChem CID 9070389) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide
PubChem CID9070389
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H15F3N4O3/c1-25(17(27)16-13-4-2-3-5-14(13)23-24-16)10-15(26)22-11-6-8-12(9-7-11)28-18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24)
InChIKeyTYISBOWEYQSDCL-UHFFFAOYSA-N
XLogP3.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 27801844
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 9144063
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]acetamide
CID 8781648
2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220589
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785087
1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25492258
N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide
CID 9188659
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2346483
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide (CID 9070389) is N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is TYISBOWEYQSDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-25(17(27)16-13-4-2-3-5-14(13)23-24-16)10-15(26)22-11-6-8-12(9-7-11)28-18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide?
N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 9070389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).