N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide

C16H12ClF2N3O — CID 66596418

IUPACN-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2nn(C)c3cc(F)ccc23)cc1F
InChIInChI=1S/C16H12ClF2N3O/c1-8-5-11(17)13(7-12(8)19)20-16(23)15-10-4-3-9(18)6-14(10)22(2)21-15/h3-7H,1-2H3,(H,20,23)
InChIKeyYGRIWGURIPBWRV-UHFFFAOYSA-N
MW335.74 g/mol
LogP4.07
Rot. Bonds2

About N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide

N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide (PubChem CID 66596418) has the molecular formula C16H12ClF2N3O and a molecular weight of 335.74 g/mol. Its IUPAC name is N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide
PubChem CID66596418
Molecular FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC NameN-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2nn(C)c3cc(F)ccc23)cc1F
InChIInChI=1S/C16H12ClF2N3O/c1-8-5-11(17)13(7-12(8)19)20-16(23)15-10-4-3-9(18)6-14(10)22(2)21-15/h3-7H,1-2H3,(H,20,23)
InChIKeyYGRIWGURIPBWRV-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide
CID 66596444
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-(2-fluoro-4-methylphenyl)-1-methylindazole-3-carboxamide
CID 71794697
4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35591245
N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
CID 115175416
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide
CID 89434813
6-fluoro-1,3-dimethylindazole
CID 59514053
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
6-amino-N,1-dimethylindazole-3-carboxamide
CID 59335057
N-(2,4-difluorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389134

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide?
The IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide (CID 66596418) is N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide is Cc1cc(Cl)c(NC(=O)c2nn(C)c3cc(F)ccc23)cc1F.
What is the InChIKey of N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide?
The InChIKey is YGRIWGURIPBWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O/c1-8-5-11(17)13(7-12(8)19)20-16(23)15-10-4-3-9(18)6-14(10)22(2)21-15/h3-7H,1-2H3,(H,20,23).
What are the key properties of N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide?
N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide has a molecular weight of 335.74 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoro-4-methylphenyl)-6-fluoro-1-methylindazole-3-carboxamide is sourced from PubChem (CID 66596418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).