1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide

C26H17ClN4O4 — CID 10277777

IUPAC1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1ccc1ccc(NC(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C26H17ClN4O4/c27-20-4-2-1-3-17(20)26(33)29-15-7-5-14-6-9-18-23(25(28)32)30-31(24(18)19(14)11-15)16-8-10-21-22(12-16)35-13-34-21/h1-12H,13H2,(H2,28,32)(H,29,33)
InChIKeyIRJIRVSKERCRMY-UHFFFAOYSA-N
MW484.90 g/mol
LogP4.91
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide

1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide (PubChem CID 10277777) has the molecular formula C26H17ClN4O4 and a molecular weight of 484.90 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide
PubChem CID10277777
Molecular FormulaC26H17ClN4O4
Molecular Weight484.90 g/mol
Exact Mass484.09
IUPAC Name1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1ccc1ccc(NC(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C26H17ClN4O4/c27-20-4-2-1-3-17(20)26(33)29-15-7-5-14-6-9-18-23(25(28)32)30-31(24(18)19(14)11-15)16-8-10-21-22(12-16)35-13-34-21/h1-12H,13H2,(H2,28,32)(H,29,33)
InChIKeyIRJIRVSKERCRMY-UHFFFAOYSA-N
XLogP4.91
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.90
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylsulfonylphenyl)-8-[[2-(trifluoromethyl)benzoyl]amino]benzo[g]indazole-3-carboxamide
CID 10280883
1-(4-sulfamoylphenyl)-8-[[2-(trifluoromethoxy)benzoyl]amino]benzo[g]indazole-3-carboxamide
CID 10166785
2-chloro-N-[3-formyl-1-(4-methylsulfanylphenyl)benzo[g]indazol-8-yl]benzamide
CID 142224443
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
CID 113050240
1-(1,3-benzodioxol-5-yl)-8-[[2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291772
8-[(2-chlorobenzoyl)amino]-1-(4-pyrrol-1-ylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291802
1-(1,3-benzodioxol-5-yl)-8-[[3-chloro-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carbonyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 18438725
1-(1,3-benzodioxol-5-yl)-8-[[3-chloro-6-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide;dihydrochloride
CID 134135800
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
N-(1,3-benzodioxol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2540316
8-[(2-chlorobenzoyl)amino]-1-(4-propan-2-ylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291764

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide (CID 10277777) is 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1ccc1ccc(NC(=O)c3ccccc3Cl)cc12.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide?
The InChIKey is IRJIRVSKERCRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN4O4/c27-20-4-2-1-3-17(20)26(33)29-15-7-5-14-6-9-18-23(25(28)32)30-31(24(18)19(14)11-15)16-8-10-21-22(12-16)35-13-34-21/h1-12H,13H2,(H2,28,32)(H,29,33).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide has a molecular weight of 484.90 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-8-[(2-chlorobenzoyl)amino]benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10277777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).