N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide

C17H15ClFN3O — CID 66596444

IUPACN-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)Nc1cc(F)c(C)cc1Cl)nn2C
InChIInChI=1S/C17H15ClFN3O/c1-9-4-5-15-11(6-9)16(21-22(15)3)17(23)20-14-8-13(19)10(2)7-12(14)18/h4-8H,1-3H3,(H,20,23)
InChIKeyYFDNHHANPMZRNS-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.23
Rot. Bonds2

About N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide

N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide (PubChem CID 66596444) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide
PubChem CID66596444
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC NameN-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)Nc1cc(F)c(C)cc1Cl)nn2C
InChIInChI=1S/C17H15ClFN3O/c1-9-4-5-15-11(6-9)16(21-22(15)3)17(23)20-14-8-13(19)10(2)7-12(14)18/h4-8H,1-3H3,(H,20,23)
InChIKeyYFDNHHANPMZRNS-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66596418
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CID 71794697
4-chloro-N-(2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267924
N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
CID 115175416
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
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N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
[4-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]phosphonic acid
CID 160904980
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103116278
N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103118370

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide?
The IUPAC name of N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide (CID 66596444) is N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide is Cc1ccc2c(c1)c(C(=O)Nc1cc(F)c(C)cc1Cl)nn2C.
What is the InChIKey of N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide?
The InChIKey is YFDNHHANPMZRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c1-9-4-5-15-11(6-9)16(21-22(15)3)17(23)20-14-8-13(19)10(2)7-12(14)18/h4-8H,1-3H3,(H,20,23).
What are the key properties of N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide?
N-(2-chloro-5-fluoro-4-methylphenyl)-1,5-dimethylindazole-3-carboxamide has a molecular weight of 331.78 g/mol, XLogP of 4.23, 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)-1,5-dimethylindazole-3-carboxamide is sourced from PubChem (CID 66596444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).