2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide

C15H9ClF3N3O — CID 69282363

IUPAC2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C15H9ClF3N3O/c16-11-3-1-2-10(15(17,18)19)13(11)14(23)21-9-5-4-8-7-20-22-12(8)6-9/h1-7H,(H,20,22)(H,21,23)
InChIKeyWPLBYTMYBREQGG-UHFFFAOYSA-N
MW339.70 g/mol
LogP4.49
Rot. Bonds2

About 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide

2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide (PubChem CID 69282363) has the molecular formula C15H9ClF3N3O and a molecular weight of 339.70 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide
PubChem CID69282363
Molecular FormulaC15H9ClF3N3O
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC Name2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C15H9ClF3N3O/c16-11-3-1-2-10(15(17,18)19)13(11)14(23)21-9-5-4-8-7-20-22-12(8)6-9/h1-7H,(H,20,22)(H,21,23)
InChIKeyWPLBYTMYBREQGG-UHFFFAOYSA-N
XLogP4.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844663
N-(3,5-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844662
N-(4-chloro-3-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844664
2-chloro-N-(1H-indazol-5-yl)benzamide
CID 4448318
4-fluoro-N-(1H-indazol-4-yl)benzamide
CID 1482886
2-fluoro-N-(1H-indazol-6-yl)benzamide
CID 2353882
3,4-dichloro-N-(1H-indazol-5-yl)benzamide
CID 17163667
N-(3,5-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60714993
N-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxamide
CID 60715051
N-(4-chloro-3-fluorophenyl)-1H-indazole-6-carboxamide
CID 61242666
N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 155514996
4-chloro-N-(1H-indazol-6-yl)benzamide
CID 2305717

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide (CID 69282363) is 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide is O=C(Nc1ccc2cn[nH]c2c1)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide?
The InChIKey is WPLBYTMYBREQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O/c16-11-3-1-2-10(15(17,18)19)13(11)14(23)21-9-5-4-8-7-20-22-12(8)6-9/h1-7H,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide?
2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide has a molecular weight of 339.70 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 69282363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).