1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide

C19H20N2O2 — CID 20954321

IUPAC1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
SMILESCCc1ccc(NC(=O)C2Cc3ccccc3N2C(C)=O)cc1
InChIInChI=1S/C19H20N2O2/c1-3-14-8-10-16(11-9-14)20-19(23)18-12-15-6-4-5-7-17(15)21(18)13(2)22/h4-11,18H,3,12H2,1-2H3,(H,20,23)
InChIKeyCOYHMVZMFGGJED-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.17
Rot. Bonds3

About 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide

1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 20954321) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
PubChem CID20954321
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
SMILESCCc1ccc(NC(=O)C2Cc3ccccc3N2C(C)=O)cc1
InChIInChI=1S/C19H20N2O2/c1-3-14-8-10-16(11-9-14)20-19(23)18-12-15-6-4-5-7-17(15)21(18)13(2)22/h4-11,18H,3,12H2,1-2H3,(H,20,23)
InChIKeyCOYHMVZMFGGJED-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
CID 92710254
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
(2S)-1-acetyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 154779634
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 75376328
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide (CID 20954321) is 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide is CCc1ccc(NC(=O)C2Cc3ccccc3N2C(C)=O)cc1.
What is the InChIKey of 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is COYHMVZMFGGJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-14-8-10-16(11-9-14)20-19(23)18-12-15-6-4-5-7-17(15)21(18)13(2)22/h4-11,18H,3,12H2,1-2H3,(H,20,23).
What are the key properties of 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).