methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate

C21H20N2O4 — CID 109141365

IUPACmethyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O4/c1-27-21(26)14-7-3-4-8-17(14)22-19(24)15-12-16(15)20(25)23-11-10-13-6-2-5-9-18(13)23/h2-9,15-16H,10-12H2,1H3,(H,22,24)
InChIKeySCQMUUDXDUGJJE-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.64
Rot. Bonds4

About methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate

methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109141365) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109141365
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O4/c1-27-21(26)14-7-3-4-8-17(14)22-19(24)15-12-16(15)20(25)23-11-10-13-6-2-5-9-18(13)23/h2-9,15-16H,10-12H2,1H3,(H,22,24)
InChIKeySCQMUUDXDUGJJE-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 109140903
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141479
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 109141445
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 55347711
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 109141365) is methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CC1C(=O)N1CCc2ccccc21.
What is the InChIKey of methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is SCQMUUDXDUGJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-27-21(26)14-7-3-4-8-17(14)22-19(24)15-12-16(15)20(25)23-11-10-13-6-2-5-9-18(13)23/h2-9,15-16H,10-12H2,1H3,(H,22,24).
What are the key properties of methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 364.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109141365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).