methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate

C19H17NO5 — CID 95593895

IUPACmethyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C(=O)OC)cc1
InChIInChI=1S/C19H17NO5/c1-24-18(22)13-9-7-12(8-10-13)17(21)20-15-6-4-3-5-14(15)11-16(20)19(23)25-2/h3-10,16H,11H2,1-2H3/t16-/m1/s1
InChIKeySDKBVOUDYNHFJT-MRXNPFEDSA-N
MW339.35 g/mol
LogP2.22
Rot. Bonds3

About methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate

methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate (PubChem CID 95593895) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
PubChem CID95593895
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C(=O)OC)cc1
InChIInChI=1S/C19H17NO5/c1-24-18(22)13-9-7-12(8-10-13)17(21)20-15-6-4-3-5-14(15)11-16(20)19(23)25-2/h3-10,16H,11H2,1-2H3/t16-/m1/s1
InChIKeySDKBVOUDYNHFJT-MRXNPFEDSA-N
XLogP2.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
methyl (2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate;hydrate
CID 86585807
methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95762876
methyl 1-[1-(2-methylpropyl)pyrazole-4-carbonyl]-2,3-dihydroindole-2-carboxylate
CID 86786576
methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95305525
methyl (2S)-1-(1-phenylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95345888
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
methyl (2R)-1-[2-(4-bromophenoxy)acetyl]-2,3-dihydroindole-2-carboxylate
CID 52504702
(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370
methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate
CID 167857956
methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109164639

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate (CID 95593895) is methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate is COC(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C(=O)OC)cc1.
What is the InChIKey of methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate?
The InChIKey is SDKBVOUDYNHFJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17NO5/c1-24-18(22)13-9-7-12(8-10-13)17(21)20-15-6-4-3-5-14(15)11-16(20)19(23)25-2/h3-10,16H,11H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate?
methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 95593895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).