2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

C17H13N3O3 — CID 154837474

IUPAC2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESN#CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H13N3O3/c18-7-8-23-15-4-2-1-3-13(15)17(22)19-12-5-6-14-11(9-12)10-16(21)20-14/h1-6,9H,8,10H2,(H,19,22)(H,20,21)
InChIKeyMTRHFPONCWTZNK-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.34
Rot. Bonds4

About 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (PubChem CID 154837474) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
PubChem CID154837474
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESN#CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H13N3O3/c18-7-8-23-15-4-2-1-3-13(15)17(22)19-12-5-6-14-11(9-12)10-16(21)20-14/h1-6,9H,8,10H2,(H,19,22)(H,20,21)
InChIKeyMTRHFPONCWTZNK-UHFFFAOYSA-N
XLogP2.34
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyloxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 154838654
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)naphthalene-1-carboxamide
CID 40947091
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27555740
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide
CID 171683080
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
2-[(4-fluorophenyl)methoxy]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153524
1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375491
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (CID 154837474) is 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is N#CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The InChIKey is MTRHFPONCWTZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-7-8-23-15-4-2-1-3-13(15)17(22)19-12-5-6-14-11(9-12)10-16(21)20-14/h1-6,9H,8,10H2,(H,19,22)(H,20,21).
What are the key properties of 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide has a molecular weight of 307.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 154837474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).