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

C22H20N4O — CID 24990408

IUPACN-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
SMILESCc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H20N4O/c1-15-18-6-2-4-8-20(18)25-26(15)14-16-10-12-17(13-11-16)22(27)24-21-9-5-3-7-19(21)23/h2-13H,14,23H2,1H3,(H,24,27)
InChIKeyGJJWNGFRRAVJHY-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.23
Rot. Bonds4

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

N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide (PubChem CID 24990408) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
PubChem CID24990408
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
SMILESCc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H20N4O/c1-15-18-6-2-4-8-20(18)25-26(15)14-16-10-12-17(13-11-16)22(27)24-21-9-5-3-7-19(21)23/h2-13H,14,23H2,1H3,(H,24,27)
InChIKeyGJJWNGFRRAVJHY-UHFFFAOYSA-N
XLogP4.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.23
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

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N-(2-aminophenyl)-4-hydroxybenzamide;ethane
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N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
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N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide (CID 24990408) is N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide is Cc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide?
The InChIKey is GJJWNGFRRAVJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15-18-6-2-4-8-20(18)25-26(15)14-16-10-12-17(13-11-16)22(27)24-21-9-5-3-7-19(21)23/h2-13H,14,23H2,1H3,(H,24,27).
What are the key properties of N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide is sourced from PubChem (CID 24990408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).