methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate

C19H16N2O4 — CID 113207965

IUPACmethyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3ccccc23)c1
InChIInChI=1S/C19H16N2O4/c1-12(22)21-11-16(15-8-3-4-9-17(15)21)18(23)20-14-7-5-6-13(10-14)19(24)25-2/h3-11H,1-2H3,(H,20,23)
InChIKeyGOYRIWWBZDJIIY-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.34
Rot. Bonds3

About methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate

methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate (PubChem CID 113207965) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate
PubChem CID113207965
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namemethyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3ccccc23)c1
InChIInChI=1S/C19H16N2O4/c1-12(22)21-11-16(15-8-3-4-9-17(15)21)18(23)20-14-7-5-6-13(10-14)19(24)25-2/h3-11H,1-2H3,(H,20,23)
InChIKeyGOYRIWWBZDJIIY-UHFFFAOYSA-N
XLogP3.34
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate (CID 113207965) is methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3ccccc23)c1.
What is the InChIKey of methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate?
The InChIKey is GOYRIWWBZDJIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(22)21-11-16(15-8-3-4-9-17(15)21)18(23)20-14-7-5-6-13(10-14)19(24)25-2/h3-11H,1-2H3,(H,20,23).
What are the key properties of methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate?
methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate has a molecular weight of 336.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-acetylindole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 113207965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).