N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide

C17H15FN4O2 — CID 27801844

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H15FN4O2/c1-22(10-15(23)19-12-8-6-11(18)7-9-12)17(24)16-13-4-2-3-5-14(13)20-21-16/h2-9H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyOTOPHSIFFSETJS-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 27801844) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID27801844
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H15FN4O2/c1-22(10-15(23)19-12-8-6-11(18)7-9-12)17(24)16-13-4-2-3-5-14(13)20-21-16/h2-9H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyOTOPHSIFFSETJS-UHFFFAOYSA-N
XLogP2.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide
CID 9070389
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 9144063
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288047
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide (CID 27801844) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is OTOPHSIFFSETJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-22(10-15(23)19-12-8-6-11(18)7-9-12)17(24)16-13-4-2-3-5-14(13)20-21-16/h2-9H,10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 27801844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).