2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide

C22H17ClFN3O2 — CID 69061988

IUPAC2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide
SMILESCCOc1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4Cl)n[nH]c3c2)c1
InChIInChI=1S/C22H17ClFN3O2/c1-2-29-15-6-3-5-13(11-15)14-9-10-16-19(12-14)26-27-21(16)25-22(28)20-17(23)7-4-8-18(20)24/h3-12H,2H2,1H3,(H2,25,26,27,28)
InChIKeySNGQFAGHWZVBHH-UHFFFAOYSA-N
MW409.85 g/mol
LogP5.67
Rot. Bonds5

About 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide

2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide (PubChem CID 69061988) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide
PubChem CID69061988
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide
SMILESCCOc1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4Cl)n[nH]c3c2)c1
InChIInChI=1S/C22H17ClFN3O2/c1-2-29-15-6-3-5-13(11-15)14-9-10-16-19(12-14)26-27-21(16)25-22(28)20-17(23)7-4-8-18(20)24/h3-12H,2H2,1H3,(H2,25,26,27,28)
InChIKeySNGQFAGHWZVBHH-UHFFFAOYSA-N
XLogP5.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.85
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide (CID 69061988) is 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide is CCOc1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4Cl)n[nH]c3c2)c1.
What is the InChIKey of 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide?
The InChIKey is SNGQFAGHWZVBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c1-2-29-15-6-3-5-13(11-15)14-9-10-16-19(12-14)26-27-21(16)25-22(28)20-17(23)7-4-8-18(20)24/h3-12H,2H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide?
2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide has a molecular weight of 409.85 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]-6-fluorobenzamide is sourced from PubChem (CID 69061988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).