N-(2-aminophenyl)-2-benzylindazole-5-carboxamide

C21H18N4O — CID 86299757

IUPACN-(2-aminophenyl)-2-benzylindazole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc2nn(Cc3ccccc3)cc2c1
InChIInChI=1S/C21H18N4O/c22-18-8-4-5-9-20(18)23-21(26)16-10-11-19-17(12-16)14-25(24-19)13-15-6-2-1-3-7-15/h1-12,14H,13,22H2,(H,23,26)
InChIKeyKCFOJZNHLNNXGD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.92
Rot. Bonds4

About N-(2-aminophenyl)-2-benzylindazole-5-carboxamide

N-(2-aminophenyl)-2-benzylindazole-5-carboxamide (PubChem CID 86299757) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-benzylindazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-benzylindazole-5-carboxamide
PubChem CID86299757
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(2-aminophenyl)-2-benzylindazole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc2nn(Cc3ccccc3)cc2c1
InChIInChI=1S/C21H18N4O/c22-18-8-4-5-9-20(18)23-21(26)16-10-11-19-17(12-16)14-25(24-19)13-15-6-2-1-3-7-15/h1-12,14H,13,22H2,(H,23,26)
InChIKeyKCFOJZNHLNNXGD-UHFFFAOYSA-N
XLogP3.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide
CID 59341302
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
2-(2-phenylethyl)indazole-5-carboxylic acid
CID 169188070
(E)-3-(2-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647942
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
2-benzyl-5-fluoroindazole-6-carboxylic acid
CID 169188080
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide
CID 11632239

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-benzylindazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-2-benzylindazole-5-carboxamide (CID 86299757) is N-(2-aminophenyl)-2-benzylindazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-2-benzylindazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-2-benzylindazole-5-carboxamide is Nc1ccccc1NC(=O)c1ccc2nn(Cc3ccccc3)cc2c1.
What is the InChIKey of N-(2-aminophenyl)-2-benzylindazole-5-carboxamide?
The InChIKey is KCFOJZNHLNNXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-18-8-4-5-9-20(18)23-21(26)16-10-11-19-17(12-16)14-25(24-19)13-15-6-2-1-3-7-15/h1-12,14H,13,22H2,(H,23,26).
What are the key properties of N-(2-aminophenyl)-2-benzylindazole-5-carboxamide?
N-(2-aminophenyl)-2-benzylindazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-benzylindazole-5-carboxamide is sourced from PubChem (CID 86299757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).