1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid

C18H17NO5 — CID 118856568

IUPAC1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2c3ccccc3CC2C(=O)O)cc1OC
InChIInChI=1S/C18H17NO5/c1-23-15-8-7-12(10-16(15)24-2)17(20)19-13-6-4-3-5-11(13)9-14(19)18(21)22/h3-8,10,14H,9H2,1-2H3,(H,21,22)
InChIKeyHDFVRSRWBFZGSA-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.36
Rot. Bonds4

About 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid

1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 118856568) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID118856568
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2c3ccccc3CC2C(=O)O)cc1OC
InChIInChI=1S/C18H17NO5/c1-23-15-8-7-12(10-16(15)24-2)17(20)19-13-6-4-3-5-11(13)9-14(19)18(21)22/h3-8,10,14H,9H2,1-2H3,(H,21,22)
InChIKeyHDFVRSRWBFZGSA-UHFFFAOYSA-N
XLogP2.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428756
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587923
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114818785
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
(2S)-1-(6-chloropyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61144897
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196856
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid (CID 118856568) is 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid is COc1ccc(C(=O)N2c3ccccc3CC2C(=O)O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is HDFVRSRWBFZGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-15-8-7-12(10-16(15)24-2)17(20)19-13-6-4-3-5-11(13)9-14(19)18(21)22/h3-8,10,14H,9H2,1-2H3,(H,21,22).
What are the key properties of 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid?
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 118856568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).