[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate

C19H15N3O4 — CID 142598912

IUPAC[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate
SMILESCC(=O)OC1(CC#N)C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C19H15N3O4/c1-12(23)26-19(9-10-20)15-11-14(7-8-16(15)22-18(19)25)21-17(24)13-5-3-2-4-6-13/h2-8,11H,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyWWFUCVOEFMRMSY-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.56
Rot. Bonds4

About [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate

[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate (PubChem CID 142598912) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate.

Molecular Properties

Compound Name[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate
PubChem CID142598912
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate
SMILESCC(=O)OC1(CC#N)C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C19H15N3O4/c1-12(23)26-19(9-10-20)15-11-14(7-8-16(15)22-18(19)25)21-17(24)13-5-3-2-4-6-13/h2-8,11H,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyWWFUCVOEFMRMSY-UHFFFAOYSA-N
XLogP2.56
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide
CID 142598901
N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide
CID 142598888
N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide
CID 142598845
N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide
CID 2835727
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylsulfonylbenzamide
CID 110619936
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719
(4-benzamidophenyl) acetate
CID 34734144
3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide
CID 90835747
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514

Frequently Asked Questions

What is the IUPAC name of [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate?
The IUPAC name of [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate (CID 142598912) is [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate.
What is the SMILES notation for [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate?
The canonical SMILES for [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate is CC(=O)OC1(CC#N)C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21.
What is the InChIKey of [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate?
The InChIKey is WWFUCVOEFMRMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-12(23)26-19(9-10-20)15-11-14(7-8-16(15)22-18(19)25)21-17(24)13-5-3-2-4-6-13/h2-8,11H,9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate?
[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate has a molecular weight of 349.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate is sourced from PubChem (CID 142598912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).