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

C17H16N2O3 — CID 110861590

IUPACmethyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)12-7-3-5-9-14(12)19-16(20)15-10-11-6-2-4-8-13(11)18-15/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKeyIYBJINBBJYJYEP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.45
Rot. Bonds3

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

methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate (PubChem CID 110861590) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
PubChem CID110861590
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)12-7-3-5-9-14(12)19-16(20)15-10-11-6-2-4-8-13(11)18-15/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKeyIYBJINBBJYJYEP-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 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 110860613
N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567402
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76951044
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616
N-(3-hydroxy-2,4-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887740
N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106954312
(2S)-N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61179668
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate (CID 110861590) is methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)C1Cc2ccccc2N1.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate?
The InChIKey is IYBJINBBJYJYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-17(21)12-7-3-5-9-14(12)19-16(20)15-10-11-6-2-4-8-13(11)18-15/h2-9,15,18H,10H2,1H3,(H,19,20).
What are the key properties of methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate?
methyl 2-(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 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate is sourced from PubChem (CID 110861590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).