N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide

C22H18N4O3 — CID 12015819

IUPACN-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C22H18N4O3/c1-29-17-10-7-14(8-11-17)21(27)25-19-5-3-2-4-18(19)22(28)24-16-9-6-15-13-23-26-20(15)12-16/h2-13H,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeySKYIFODKQCFBNK-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.08
Rot. Bonds5

About N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide

N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 12015819) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID12015819
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C22H18N4O3/c1-29-17-10-7-14(8-11-17)21(27)25-19-5-3-2-4-18(19)22(28)24-16-9-6-15-13-23-26-20(15)12-16/h2-13H,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeySKYIFODKQCFBNK-UHFFFAOYSA-N
XLogP4.08
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-1H-indazole-6-carboxamide
CID 110485418
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
2-[[4-(1-hydroxyethyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 10620419
2-[(4-tert-butylbenzoyl)amino]-N-(1H-indazol-6-yl)-4-[methoxy(sulfanyloxy)amino]benzamide
CID 18345259
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
CID 102378800

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide (CID 12015819) is N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is SKYIFODKQCFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-29-17-10-7-14(8-11-17)21(27)25-19-5-3-2-4-18(19)22(28)24-16-9-6-15-13-23-26-20(15)12-16/h2-13H,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide?
N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 386.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 12015819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).