N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide

C17H15ClN4O2 — CID 170858528

IUPACN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C17H15ClN4O2/c1-10-6-7-11(8-13(10)18)20-15(23)9-19-17(24)16-12-4-2-3-5-14(12)21-22-16/h2-8H,9H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeySHLUSAPIGFIJCG-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.89
Rot. Bonds4

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

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide (PubChem CID 170858528) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
PubChem CID170858528
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C17H15ClN4O2/c1-10-6-7-11(8-13(10)18)20-15(23)9-19-17(24)16-12-4-2-3-5-14(12)21-22-16/h2-8H,9H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeySHLUSAPIGFIJCG-UHFFFAOYSA-N
XLogP2.89
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858386
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998185
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 9144063
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide (CID 170858528) is N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The InChIKey is SHLUSAPIGFIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10-6-7-11(8-13(10)18)20-15(23)9-19-17(24)16-12-4-2-3-5-14(12)21-22-16/h2-8H,9H2,1H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).