N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide

C23H22N4O — CID 59341295

IUPACN-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide
SMILESCc1cc(C(=O)Nc2ccccc2N)ccc1Cn1nc(C)c2ccccc21
InChIInChI=1S/C23H22N4O/c1-15-13-17(23(28)25-21-9-5-4-8-20(21)24)11-12-18(15)14-27-22-10-6-3-7-19(22)16(2)26-27/h3-13H,14,24H2,1-2H3,(H,25,28)
InChIKeyQTGNJLIBIATLPD-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.54
Rot. Bonds4

About N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide

N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide (PubChem CID 59341295) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide
PubChem CID59341295
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide
SMILESCc1cc(C(=O)Nc2ccccc2N)ccc1Cn1nc(C)c2ccccc21
InChIInChI=1S/C23H22N4O/c1-15-13-17(23(28)25-21-9-5-4-8-20(21)24)11-12-18(15)14-27-22-10-6-3-7-19(22)16(2)26-27/h3-13H,14,24H2,1-2H3,(H,25,28)
InChIKeyQTGNJLIBIATLPD-UHFFFAOYSA-N
XLogP4.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.54
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

1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
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N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide
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N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide
CID 59341329
N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 58708370
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide (CID 59341295) is N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide is Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1nc(C)c2ccccc21.
What is the InChIKey of N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide?
The InChIKey is QTGNJLIBIATLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-13-17(23(28)25-21-9-5-4-8-20(21)24)11-12-18(15)14-27-22-10-6-3-7-19(22)16(2)26-27/h3-13H,14,24H2,1-2H3,(H,25,28).
What are the key properties of N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide?
N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide has a molecular weight of 370.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide is sourced from PubChem (CID 59341295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).