methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate

C17H16N2O3 — CID 110861747

IUPACmethyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2Cc3ccccc3N2)cc1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)11-6-8-13(9-7-11)18-16(20)15-10-12-4-2-3-5-14(12)19-15/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyCZYOCRGLMUEZFQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.45
Rot. Bonds3

About methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate

methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate (PubChem CID 110861747) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
PubChem CID110861747
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2Cc3ccccc3N2)cc1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)11-6-8-13(9-7-11)18-16(20)15-10-12-4-2-3-5-14(12)19-15/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyCZYOCRGLMUEZFQ-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861590
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216462
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61178228
(2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155814
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 77126351
N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide
CID 103287754
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate?
The IUPAC name of methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate (CID 110861747) is methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)C2Cc3ccccc3N2)cc1.
What is the InChIKey of methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate?
The InChIKey is CZYOCRGLMUEZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-17(21)11-6-8-13(9-7-11)18-16(20)15-10-12-4-2-3-5-14(12)19-15/h2-9,15,19H,10H2,1H3,(H,18,20).
What are the key properties of methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate?
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate has a molecular weight of 296.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate is sourced from PubChem (CID 110861747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).