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

C21H13Cl3FN3O — CID 130229801

IUPACN-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1Cl)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H13Cl3FN3O/c22-13-9-8-12(16(24)10-13)11-28-18-7-2-1-4-14(18)19(27-28)21(29)26-20-15(23)5-3-6-17(20)25/h1-10H,11H2,(H,26,29)
InChIKeyFAMRARGRNTZSJL-UHFFFAOYSA-N
MW448.71 g/mol
LogP6.44
Rot. Bonds4

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

N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide (PubChem CID 130229801) has the molecular formula C21H13Cl3FN3O and a molecular weight of 448.71 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
PubChem CID130229801
Molecular FormulaC21H13Cl3FN3O
Molecular Weight448.71 g/mol
Exact Mass447.01
IUPAC NameN-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
SMILESO=C(Nc1c(F)cccc1Cl)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H13Cl3FN3O/c22-13-9-8-12(16(24)10-13)11-28-18-7-2-1-4-14(18)19(27-28)21(29)26-20-15(23)5-3-6-17(20)25/h1-10H,11H2,(H,26,29)
InChIKeyFAMRARGRNTZSJL-UHFFFAOYSA-N
XLogP6.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.71
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide (CID 130229801) is N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide is O=C(Nc1c(F)cccc1Cl)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is FAMRARGRNTZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3FN3O/c22-13-9-8-12(16(24)10-13)11-28-18-7-2-1-4-14(18)19(27-28)21(29)26-20-15(23)5-3-6-17(20)25/h1-10H,11H2,(H,26,29).
What are the key properties of N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide?
N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 448.71 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 130229801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).