N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide

C18H18N2O2 — CID 847775

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C18H18N2O2/c1-12-3-5-14(6-4-12)18(22)19-16-7-8-17-15(11-16)9-10-20(17)13(2)21/h3-8,11H,9-10H2,1-2H3,(H,19,22)
InChIKeyHDENVUMPMZHCJP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.16
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide (PubChem CID 847775) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide
PubChem CID847775
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C18H18N2O2/c1-12-3-5-14(6-4-12)18(22)19-16-7-8-17-15(11-16)9-10-20(17)13(2)21/h3-8,11H,9-10H2,1-2H3,(H,19,22)
InChIKeyHDENVUMPMZHCJP-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
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2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
3-Benzylideneindolin-2-one
CID 1551501
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide (CID 847775) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide is CC(=O)N1CCc2cc(NC(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide?
The InChIKey is HDENVUMPMZHCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-3-5-14(6-4-12)18(22)19-16-7-8-17-15(11-16)9-10-20(17)13(2)21/h3-8,11H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide is sourced from PubChem (CID 847775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).