methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate

C16H14N2O3 — CID 43139137

IUPACmethyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H14N2O3/c1-21-16(20)10-6-8-11(9-7-10)17-14-12-4-2-3-5-13(12)18-15(14)19/h2-9,14,17H,1H3,(H,18,19)
InChIKeyNGODGXTUPBVTTK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.58
Rot. Bonds3

About methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate

methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate (PubChem CID 43139137) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate
PubChem CID43139137
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H14N2O3/c1-21-16(20)10-6-8-11(9-7-10)17-14-12-4-2-3-5-13(12)18-15(14)19/h2-9,14,17H,1H3,(H,18,19)
InChIKeyNGODGXTUPBVTTK-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43380600
3-(naphthalen-2-ylamino)-1,3-dihydroindol-2-one
CID 43680278
methyl 4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoate
CID 1359843
methyl 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzoate
CID 19245080
3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
CID 43534975
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 43321623
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzamide
CID 43193021
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747
3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43739009
2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 16770871
3-(3-methoxypropylamino)-1,3-dihydroindol-2-one
CID 43205039
methyl 4-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzoate
CID 22478824

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate?
The IUPAC name of methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate (CID 43139137) is methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate is COC(=O)c1ccc(NC2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate?
The InChIKey is NGODGXTUPBVTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-16(20)10-6-8-11(9-7-10)17-14-12-4-2-3-5-13(12)18-15(14)19/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate?
methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate has a molecular weight of 282.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate is sourced from PubChem (CID 43139137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).