N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide

C17H13N3O3 — CID 142598888

IUPACN-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide
SMILESN#CCC1(O)C(=O)Nc2c(NC(=O)c3ccccc3)cccc21
InChIInChI=1S/C17H13N3O3/c18-10-9-17(23)12-7-4-8-13(14(12)20-16(17)22)19-15(21)11-5-2-1-3-6-11/h1-8,23H,9H2,(H,19,21)(H,20,22)
InChIKeyWAAGTNOYZGJIIP-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.99
Rot. Bonds3

About N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide

N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide (PubChem CID 142598888) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide.

Molecular Properties

Compound NameN-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide
PubChem CID142598888
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide
SMILESN#CCC1(O)C(=O)Nc2c(NC(=O)c3ccccc3)cccc21
InChIInChI=1S/C17H13N3O3/c18-10-9-17(23)12-7-4-8-13(14(12)20-16(17)22)19-15(21)11-5-2-1-3-6-11/h1-8,23H,9H2,(H,19,21)(H,20,22)
InChIKeyWAAGTNOYZGJIIP-UHFFFAOYSA-N
XLogP1.99
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide?
The IUPAC name of N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide (CID 142598888) is N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide.
What is the SMILES notation for N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide?
The canonical SMILES for N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide is N#CCC1(O)C(=O)Nc2c(NC(=O)c3ccccc3)cccc21.
What is the InChIKey of N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide?
The InChIKey is WAAGTNOYZGJIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-10-9-17(23)12-7-4-8-13(14(12)20-16(17)22)19-15(21)11-5-2-1-3-6-11/h1-8,23H,9H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide?
N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide has a molecular weight of 307.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide is sourced from PubChem (CID 142598888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).