N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide

C18H17BrN4O2 — CID 78858960

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)c2c1
InChIInChI=1S/C18H17BrN4O2/c1-10-3-5-15-13(7-10)17(23-22-15)18(25)20-9-16(24)21-14-6-4-12(19)8-11(14)2/h3-8H,9H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyMCEJKLHUFFFXDY-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.31
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78858960) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78858960
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)c2c1
InChIInChI=1S/C18H17BrN4O2/c1-10-3-5-15-13(7-10)17(23-22-15)18(25)20-9-16(24)21-14-6-4-12(19)8-11(14)2/h3-8H,9H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyMCEJKLHUFFFXDY-UHFFFAOYSA-N
XLogP3.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide
CID 16548195
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
CID 71918952
5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 78866464
N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 17495984
N'-(4-bromo-2-methylphenyl)-N-[(4-methylphenyl)methyl]propanediamide
CID 108945836
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
CID 120831007

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide (CID 78858960) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)c2c1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is MCEJKLHUFFFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-10-3-5-15-13(7-10)17(23-22-15)18(25)20-9-16(24)21-14-6-4-12(19)8-11(14)2/h3-8H,9H2,1-2H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78858960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).