4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide

C17H17ClN4O — CID 2813216

IUPAC4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide
SMILESCN(C)c1cccc2c1c(NC(=O)c1ccc(Cl)cc1)nn2C
InChIInChI=1S/C17H17ClN4O/c1-21(2)13-5-4-6-14-15(13)16(20-22(14)3)19-17(23)11-7-9-12(18)10-8-11/h4-10H,1-3H3,(H,19,20,23)
InChIKeyPGRZHZNLOAVKIM-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.55
Rot. Bonds3

About 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide

4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide (PubChem CID 2813216) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide
PubChem CID2813216
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide
SMILESCN(C)c1cccc2c1c(NC(=O)c1ccc(Cl)cc1)nn2C
InChIInChI=1S/C17H17ClN4O/c1-21(2)13-5-4-6-14-15(13)16(20-22(14)3)19-17(23)11-7-9-12(18)10-8-11/h4-10H,1-3H3,(H,19,20,23)
InChIKeyPGRZHZNLOAVKIM-UHFFFAOYSA-N
XLogP3.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide (CID 2813216) is 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide is CN(C)c1cccc2c1c(NC(=O)c1ccc(Cl)cc1)nn2C.
What is the InChIKey of 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide?
The InChIKey is PGRZHZNLOAVKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-21(2)13-5-4-6-14-15(13)16(20-22(14)3)19-17(23)11-7-9-12(18)10-8-11/h4-10H,1-3H3,(H,19,20,23).
What are the key properties of 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide?
4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide has a molecular weight of 328.80 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylamino)-1-methylindazol-3-yl]benzamide is sourced from PubChem (CID 2813216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).