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

C17H15BrN4O2 — CID 25163514

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H15BrN4O2/c1-22(10-15(23)19-14-9-5-3-7-12(14)18)17(24)16-11-6-2-4-8-13(11)20-21-16/h2-9H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyHLTWABYTBFWCKS-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.04
Rot. Bonds4

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

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 25163514) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID25163514
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H15BrN4O2/c1-22(10-15(23)19-14-9-5-3-7-12(14)18)17(24)16-11-6-2-4-8-13(11)20-21-16/h2-9H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyHLTWABYTBFWCKS-UHFFFAOYSA-N
XLogP3.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide (CID 25163514) is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is HLTWABYTBFWCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-22(10-15(23)19-14-9-5-3-7-12(14)18)17(24)16-11-6-2-4-8-13(11)20-21-16/h2-9H,10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 25163514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).