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

C22H20N4O2 — CID 59341329

IUPACN-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide
SMILESCOc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H20N4O2/c1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23/h2-13H,14,23H2,1H3,(H,24,27)
InChIKeyWSGHDKJPYNRHAH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.93
Rot. Bonds5

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

N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide (PubChem CID 59341329) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide
PubChem CID59341329
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide
SMILESCOc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H20N4O2/c1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23/h2-13H,14,23H2,1H3,(H,24,27)
InChIKeyWSGHDKJPYNRHAH-UHFFFAOYSA-N
XLogP3.93
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 20785789
4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
CID 8872279

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide (CID 59341329) is N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide is COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide?
The InChIKey is WSGHDKJPYNRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23/h2-13H,14,23H2,1H3,(H,24,27).
What are the key properties of N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide is sourced from PubChem (CID 59341329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).