2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide

C19H16Cl3N3O — CID 59010006

IUPAC2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)c(Cl)nn2CC1CCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H16Cl3N3O/c20-14-5-2-6-15(21)17(14)19(26)23-12-7-8-16-13(9-12)18(22)24-25(16)10-11-3-1-4-11/h2,5-9,11H,1,3-4,10H2,(H,23,26)
InChIKeyGXNBYITZQBNQSI-UHFFFAOYSA-N
MW408.72 g/mol
LogP6.05
Rot. Bonds4

About 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide

2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide (PubChem CID 59010006) has the molecular formula C19H16Cl3N3O and a molecular weight of 408.72 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide
PubChem CID59010006
Molecular FormulaC19H16Cl3N3O
Molecular Weight408.72 g/mol
Exact Mass407.04
IUPAC Name2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)c(Cl)nn2CC1CCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H16Cl3N3O/c20-14-5-2-6-15(21)17(14)19(26)23-12-7-8-16-13(9-12)18(22)24-25(16)10-11-3-1-4-11/h2,5-9,11H,1,3-4,10H2,(H,23,26)
InChIKeyGXNBYITZQBNQSI-UHFFFAOYSA-N
XLogP6.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.72
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide (CID 59010006) is 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide is O=C(Nc1ccc2c(c1)c(Cl)nn2CC1CCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide?
The InChIKey is GXNBYITZQBNQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O/c20-14-5-2-6-15(21)17(14)19(26)23-12-7-8-16-13(9-12)18(22)24-25(16)10-11-3-1-4-11/h2,5-9,11H,1,3-4,10H2,(H,23,26).
What are the key properties of 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide?
2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide has a molecular weight of 408.72 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-chloro-1-(cyclobutylmethyl)indazol-5-yl]benzamide is sourced from PubChem (CID 59010006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).