1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide

C19H20N2O2 — CID 29284026

IUPAC1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)Nc3cccc(C)c3C)ccc21
InChIInChI=1S/C19H20N2O2/c1-12-5-4-6-17(13(12)2)20-19(23)16-7-8-18-15(11-16)9-10-21(18)14(3)22/h4-8,11H,9-10H2,1-3H3,(H,20,23)
InChIKeyCKHVNJXVKVWBDS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.46
Rot. Bonds2

About 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 29284026) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID29284026
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)Nc3cccc(C)c3C)ccc21
InChIInChI=1S/C19H20N2O2/c1-12-5-4-6-17(13(12)2)20-19(23)16-7-8-18-15(11-16)9-10-21(18)14(3)22/h4-8,11H,9-10H2,1-3H3,(H,20,23)
InChIKeyCKHVNJXVKVWBDS-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098350
1-acetyl-N-(2,4,6-trimethyl-3-pyridinyl)-2,3-dihydroindole-5-carboxamide
CID 78859744
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 34717716
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dimethylphenyl)-4-methylpentanamide
CID 15996337
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 52533407
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide (CID 29284026) is 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)Nc3cccc(C)c3C)ccc21.
What is the InChIKey of 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is CKHVNJXVKVWBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-5-4-6-17(13(12)2)20-19(23)16-7-8-18-15(11-16)9-10-21(18)14(3)22/h4-8,11H,9-10H2,1-3H3,(H,20,23).
What are the key properties of 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 29284026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).