N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide

C19H17N3O3 — CID 39058857

IUPACN-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C19H17N3O3/c1-11-16(14-8-3-4-9-15(14)21-11)17(23)19(25)22-13-7-5-6-12(10-13)18(24)20-2/h3-10,21H,1-2H3,(H,20,24)(H,22,25)
InChIKeyPKKJEGOKJNUFDN-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.66
Rot. Bonds4

About N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide

N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide (PubChem CID 39058857) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
PubChem CID39058857
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C19H17N3O3/c1-11-16(14-8-3-4-9-15(14)21-11)17(23)19(25)22-13-7-5-6-12(10-13)18(24)20-2/h3-10,21H,1-2H3,(H,20,24)(H,22,25)
InChIKeyPKKJEGOKJNUFDN-UHFFFAOYSA-N
XLogP2.66
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38840945
2-(2-methyl-1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
CID 51119222
N-(9H-fluoren-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 5297197
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 39040258
N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 39058628
2-(2-methyl-1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 134052247
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 39041089
2-(2-hydroxy-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 44713902
N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 6460295

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide (CID 39058857) is N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide?
The InChIKey is PKKJEGOKJNUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-16(14-8-3-4-9-15(14)21-11)17(23)19(25)22-13-7-5-6-12(10-13)18(24)20-2/h3-10,21H,1-2H3,(H,20,24)(H,22,25).
What are the key properties of N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide?
N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide is sourced from PubChem (CID 39058857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).