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

C18H18N2O3 — CID 2955479

IUPACmethyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H18N2O3/c1-12-11-13-7-3-6-10-16(13)20(12)18(22)19-15-9-5-4-8-14(15)17(21)23-2/h3-10,12H,11H2,1-2H3,(H,19,22)
InChIKeyTWXZLYPACKUXHY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.46
Rot. Bonds2

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

methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate (PubChem CID 2955479) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate
PubChem CID2955479
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H18N2O3/c1-12-11-13-7-3-6-10-16(13)20(12)18(22)19-15-9-5-4-8-14(15)17(21)23-2/h3-10,12H,11H2,1-2H3,(H,19,22)
InChIKeyTWXZLYPACKUXHY-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate (CID 2955479) is methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)N1c2ccccc2CC1C.
What is the InChIKey of methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate?
The InChIKey is TWXZLYPACKUXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-11-13-7-3-6-10-16(13)20(12)18(22)19-15-9-5-4-8-14(15)17(21)23-2/h3-10,12H,11H2,1-2H3,(H,19,22).
What are the key properties of methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate?
methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate has a molecular weight of 310.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]benzoate is sourced from PubChem (CID 2955479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).