3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

C24H24ClN5O — CID 10151272

IUPAC3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
InChIInChI=1S/C24H24ClN5O/c1-30(2)13-12-26-24(31)17-7-5-6-16(14-17)23-19-11-10-18(15-22(19)28-29-23)27-21-9-4-3-8-20(21)25/h3-11,14-15,27H,12-13H2,1-2H3,(H,26,31)(H,28,29)
InChIKeySCDOWHQVNDXVPB-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.92
Rot. Bonds7

About 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 10151272) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID10151272
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
InChIInChI=1S/C24H24ClN5O/c1-30(2)13-12-26-24(31)17-7-5-6-16(14-17)23-19-11-10-18(15-22(19)28-29-23)27-21-9-4-3-8-20(21)25/h3-11,14-15,27H,12-13H2,1-2H3,(H,26,31)(H,28,29)
InChIKeySCDOWHQVNDXVPB-UHFFFAOYSA-N
XLogP4.92
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 10151272) is 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1.
What is the InChIKey of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is SCDOWHQVNDXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-30(2)13-12-26-24(31)17-7-5-6-16(14-17)23-19-11-10-18(15-22(19)28-29-23)27-21-9-4-3-8-20(21)25/h3-11,14-15,27H,12-13H2,1-2H3,(H,26,31)(H,28,29).
What are the key properties of 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chloroanilino)-1H-indazol-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 10151272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).