1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone

C19H19NO4 — CID 110737350

IUPAC1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCc3cc(C(C)=O)ccc32)c1
InChIInChI=1S/C19H19NO4/c1-12(21)13-4-5-18-14(8-13)6-7-20(18)19(22)15-9-16(23-2)11-17(10-15)24-3/h4-5,8-11H,6-7H2,1-3H3
InChIKeyIJHDIFYSNLGEIU-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.11
Rot. Bonds4

About 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone

1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone (PubChem CID 110737350) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
PubChem CID110737350
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCc3cc(C(C)=O)ccc32)c1
InChIInChI=1S/C19H19NO4/c1-12(21)13-4-5-18-14(8-13)6-7-20(18)19(22)15-9-16(23-2)11-17(10-15)24-3/h4-5,8-11H,6-7H2,1-3H3
InChIKeyIJHDIFYSNLGEIU-UHFFFAOYSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 110746141
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84556507
N-[3-(5-acetyl-2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 110746144
1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82344236
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone (CID 110737350) is 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone is COc1cc(OC)cc(C(=O)N2CCc3cc(C(C)=O)ccc32)c1.
What is the InChIKey of 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is IJHDIFYSNLGEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(21)13-4-5-18-14(8-13)6-7-20(18)19(22)15-9-16(23-2)11-17(10-15)24-3/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone?
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 325.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 110737350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).