N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide

C19H15N3O3 — CID 142598845

IUPACN-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide
SMILESC=CN1C(=O)C(O)(CC#N)c2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H15N3O3/c1-2-22-16-9-8-14(21-17(23)13-6-4-3-5-7-13)12-15(16)19(25,10-11-20)18(22)24/h2-9,12,25H,1,10H2,(H,21,23)
InChIKeyNDNVKGINYNNWNG-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.53
Rot. Bonds4

About N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide

N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide (PubChem CID 142598845) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide
PubChem CID142598845
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide
SMILESC=CN1C(=O)C(O)(CC#N)c2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H15N3O3/c1-2-22-16-9-8-14(21-17(23)13-6-4-3-5-7-13)12-15(16)19(25,10-11-20)18(22)24/h2-9,12,25H,1,10H2,(H,21,23)
InChIKeyNDNVKGINYNNWNG-UHFFFAOYSA-N
XLogP2.53
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate
CID 142598912
N-[3-(cyanomethyl)-3-hydroxy-2-oxo-1H-indol-7-yl]benzamide
CID 142598888
N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide
CID 142598901
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
N-(4-prop-2-enylphenyl)benzamide
CID 67934091
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide
CID 122144073
N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide
CID 90835747
N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide
CID 2835727
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
3-(5-benzamido-3-oxo-1H-isoindol-2-yl)propanoic acid
CID 131866548
(4-benzamidophenyl)carbamic acid
CID 18543096

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide?
The IUPAC name of N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide (CID 142598845) is N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide.
What is the SMILES notation for N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide?
The canonical SMILES for N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide is C=CN1C(=O)C(O)(CC#N)c2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide?
The InChIKey is NDNVKGINYNNWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-2-22-16-9-8-14(21-17(23)13-6-4-3-5-7-13)12-15(16)19(25,10-11-20)18(22)24/h2-9,12,25H,1,10H2,(H,21,23).
What are the key properties of N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide?
N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide has a molecular weight of 333.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethyl)-1-ethenyl-3-hydroxy-2-oxoindol-5-yl]benzamide is sourced from PubChem (CID 142598845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).