1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide

C21H13Cl2F2N3O — CID 130229976

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H13Cl2F2N3O/c22-13-9-8-12(15(23)10-13)11-28-18-7-2-1-4-14(18)19(27-28)21(29)26-20-16(24)5-3-6-17(20)25/h1-10H,11H2,(H,26,29)
InChIKeyFGQSLNATAGVVLS-UHFFFAOYSA-N
MW432.26 g/mol
LogP5.92
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide (PubChem CID 130229976) has the molecular formula C21H13Cl2F2N3O and a molecular weight of 432.26 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide
PubChem CID130229976
Molecular FormulaC21H13Cl2F2N3O
Molecular Weight432.26 g/mol
Exact Mass431.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H13Cl2F2N3O/c22-13-9-8-12(15(23)10-13)11-28-18-7-2-1-4-14(18)19(27-28)21(29)26-20-16(24)5-3-6-17(20)25/h1-10H,11H2,(H,26,29)
InChIKeyFGQSLNATAGVVLS-UHFFFAOYSA-N
XLogP5.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.26
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5F-Cumyl-PINACA
CID 86274158
5-Fluoro-MN-18
CID 91936859
1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
CID 165416442
Adjudin
CID 9819086
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 130229801
1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide
CID 130230203
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299573
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299645
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299858
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299874
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299902

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide (CID 130229976) is 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide is O=C(Nc1c(F)cccc1F)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide?
The InChIKey is FGQSLNATAGVVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F2N3O/c22-13-9-8-12(15(23)10-13)11-28-18-7-2-1-4-14(18)19(27-28)21(29)26-20-16(24)5-3-6-17(20)25/h1-10H,11H2,(H,26,29).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide has a molecular weight of 432.26 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide is sourced from PubChem (CID 130229976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).