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

C19H20N2O4 — CID 20954315

IUPAC1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
SMILESCOc1cc(NC(=O)C2Cc3ccccc3N2C(C)=O)cc(OC)c1
InChIInChI=1S/C19H20N2O4/c1-12(22)21-17-7-5-4-6-13(17)8-18(21)19(23)20-14-9-15(24-2)11-16(10-14)25-3/h4-7,9-11,18H,8H2,1-3H3,(H,20,23)
InChIKeyXIQFKBNOIDGZLK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds4

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

1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 20954315) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
PubChem CID20954315
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
SMILESCOc1cc(NC(=O)C2Cc3ccccc3N2C(C)=O)cc(OC)c1
InChIInChI=1S/C19H20N2O4/c1-12(22)21-17-7-5-4-6-13(17)8-18(21)19(23)20-14-9-15(24-2)11-16(10-14)25-3/h4-7,9-11,18H,8H2,1-3H3,(H,20,23)
InChIKeyXIQFKBNOIDGZLK-UHFFFAOYSA-N
XLogP2.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
(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
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
(3S)-N-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40837264
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 99721827
(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 75376328
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 127043076
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide (CID 20954315) is 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide is COc1cc(NC(=O)C2Cc3ccccc3N2C(C)=O)cc(OC)c1.
What is the InChIKey of 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is XIQFKBNOIDGZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(22)21-17-7-5-4-6-13(17)8-18(21)19(23)20-14-9-15(24-2)11-16(10-14)25-3/h4-7,9-11,18H,8H2,1-3H3,(H,20,23).
What are the key properties of 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).