2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide

C24H21ClN4O4 — CID 162674383

IUPAC2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCOc1cc(OC)cc(-c2ccc3c(NC(=O)c4ccccc4NC(=O)CCl)n[nH]c3c2)c1
InChIInChI=1S/C24H21ClN4O4/c1-32-16-9-15(10-17(12-16)33-2)14-7-8-18-21(11-14)28-29-23(18)27-24(31)19-5-3-4-6-20(19)26-22(30)13-25/h3-12H,13H2,1-2H3,(H,26,30)(H2,27,28,29,31)
InChIKeyZZJNMQJIPVWQJB-UHFFFAOYSA-N
MW464.91 g/mol
LogP4.68
Rot. Bonds7

About 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide

2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 162674383) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide
PubChem CID162674383
Molecular FormulaC24H21ClN4O4
Molecular Weight464.91 g/mol
Exact Mass464.13
IUPAC Name2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCOc1cc(OC)cc(-c2ccc3c(NC(=O)c4ccccc4NC(=O)CCl)n[nH]c3c2)c1
InChIInChI=1S/C24H21ClN4O4/c1-32-16-9-15(10-17(12-16)33-2)14-7-8-18-21(11-14)28-29-23(18)27-24(31)19-5-3-4-6-20(19)26-22(30)13-25/h3-12H,13H2,1-2H3,(H,26,30)(H2,27,28,29,31)
InChIKeyZZJNMQJIPVWQJB-UHFFFAOYSA-N
XLogP4.68
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide
CID 175394496
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69061802
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69067411
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520
N-[6-(2-fluorophenyl)-1H-indazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 69061853
1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69062294
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162660019

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide (CID 162674383) is 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide is COc1cc(OC)cc(-c2ccc3c(NC(=O)c4ccccc4NC(=O)CCl)n[nH]c3c2)c1.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is ZZJNMQJIPVWQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c1-32-16-9-15(10-17(12-16)33-2)14-7-8-18-21(11-14)28-29-23(18)27-24(31)19-5-3-4-6-20(19)26-22(30)13-25/h3-12H,13H2,1-2H3,(H,26,30)(H2,27,28,29,31).
What are the key properties of 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide?
2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 464.91 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 162674383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).