N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide

C17H13N3O2 — CID 142598901

IUPACN-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide
SMILESN#CCC1C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C17H13N3O2/c18-9-8-13-14-10-12(6-7-15(14)20-17(13)22)19-16(21)11-4-2-1-3-5-11/h1-7,10,13H,8H2,(H,19,21)(H,20,22)
InChIKeyHNFICLLBJXXMNF-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.89
Rot. Bonds3

About N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide

N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide (PubChem CID 142598901) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide
PubChem CID142598901
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide
SMILESN#CCC1C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C17H13N3O2/c18-9-8-13-14-10-12(6-7-15(14)20-17(13)22)19-16(21)11-4-2-1-3-5-11/h1-7,10,13H,8H2,(H,19,21)(H,20,22)
InChIKeyHNFICLLBJXXMNF-UHFFFAOYSA-N
XLogP2.89
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]acetamide
CID 71452564
ethyl N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]carbamate
CID 171344385
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate
CID 142598912
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
CID 110405906
N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide
CID 2835727
N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694728
N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide
CID 90835747
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
CID 11875134
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile
CID 162903015

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide?
The IUPAC name of N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide (CID 142598901) is N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide.
What is the SMILES notation for N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide?
The canonical SMILES for N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide is N#CCC1C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21.
What is the InChIKey of N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide?
The InChIKey is HNFICLLBJXXMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-9-8-13-14-10-12(6-7-15(14)20-17(13)22)19-16(21)11-4-2-1-3-5-11/h1-7,10,13H,8H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide?
N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide has a molecular weight of 291.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide is sourced from PubChem (CID 142598901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).