N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide

C17H15N3O2 — CID 139216501

IUPACN-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
SMILESCn1nc(C(=O)CNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15N3O2/c1-20-14-10-6-5-9-13(14)16(19-20)15(21)11-18-17(22)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,22)
InChIKeyUZMYHKLNPAQULB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide

N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide (PubChem CID 139216501) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
PubChem CID139216501
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
SMILESCn1nc(C(=O)CNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15N3O2/c1-20-14-10-6-5-9-13(14)16(19-20)15(21)11-18-17(22)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,22)
InChIKeyUZMYHKLNPAQULB-UHFFFAOYSA-N
XLogP2.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide (CID 139216501) is N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide is Cn1nc(C(=O)CNC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide?
The InChIKey is UZMYHKLNPAQULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20-14-10-6-5-9-13(14)16(19-20)15(21)11-18-17(22)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,22).
What are the key properties of N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide?
N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 139216501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).