2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide

C16H11ClFN3O — CID 69093376

IUPAC2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide
SMILESC=Cc1n[nH]c2cc(NC(=O)c3c(F)cccc3Cl)ccc12
InChIInChI=1S/C16H11ClFN3O/c1-2-13-10-7-6-9(8-14(10)21-20-13)19-16(22)15-11(17)4-3-5-12(15)18/h2-8H,1H2,(H,19,22)(H,20,21)
InChIKeyGYGUZPGDUDFRPK-UHFFFAOYSA-N
MW315.74 g/mol
LogP4.25
Rot. Bonds3

About 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide

2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide (PubChem CID 69093376) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide
PubChem CID69093376
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC Name2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide
SMILESC=Cc1n[nH]c2cc(NC(=O)c3c(F)cccc3Cl)ccc12
InChIInChI=1S/C16H11ClFN3O/c1-2-13-10-7-6-9(8-14(10)21-20-13)19-16(22)15-11(17)4-3-5-12(15)18/h2-8H,1H2,(H,19,22)(H,20,21)
InChIKeyGYGUZPGDUDFRPK-UHFFFAOYSA-N
XLogP4.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 54.25
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-Phenyl-1H-indazole-3-carboxamide
CID 9341021
N-(4-chloro-3-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844664
2-chloro-N-(1H-indazol-5-yl)benzamide
CID 4448318
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
4-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 10310219
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-(3-fluorophenyl)-1H-indazol-6-yl]propanediamide
CID 141764093
N-[2-fluoro-5-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]benzamide
CID 21877319
4-fluoro-N-(1H-indazol-4-yl)benzamide
CID 1482886
2-fluoro-N-(1H-indazol-6-yl)benzamide
CID 2353882
N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide
CID 4790595
N-(p-tolyl)-1H-indazole-3-carboxamide
CID 9411754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide (CID 69093376) is 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide is C=Cc1n[nH]c2cc(NC(=O)c3c(F)cccc3Cl)ccc12.
What is the InChIKey of 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide?
The InChIKey is GYGUZPGDUDFRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c1-2-13-10-7-6-9(8-14(10)21-20-13)19-16(22)15-11(17)4-3-5-12(15)18/h2-8H,1H2,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide?
2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide has a molecular weight of 315.74 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethenyl-1H-indazol-6-yl)-6-fluorobenzamide is sourced from PubChem (CID 69093376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).