N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide

C20H16N2O4 — CID 110673380

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H16N2O4/c23-18(22-10-9-13-5-1-3-7-16(13)22)12-21-19(24)15-11-14-6-2-4-8-17(14)26-20(15)25/h1-8,11H,9-10,12H2,(H,21,24)
InChIKeyLDUBNCPKDNVVJV-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.11
Rot. Bonds3

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide (PubChem CID 110673380) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide
PubChem CID110673380
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCC(=O)N1CCc2ccccc21)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H16N2O4/c23-18(22-10-9-13-5-1-3-7-16(13)22)12-21-19(24)15-11-14-6-2-4-8-17(14)26-20(15)25/h1-8,11H,9-10,12H2,(H,21,24)
InChIKeyLDUBNCPKDNVVJV-UHFFFAOYSA-N
XLogP2.11
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110606102
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 166182398
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110606103
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 110673376
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide (CID 110673380) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide is O=C(NCC(=O)N1CCc2ccccc21)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide?
The InChIKey is LDUBNCPKDNVVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-18(22-10-9-13-5-1-3-7-16(13)22)12-21-19(24)15-11-14-6-2-4-8-17(14)26-20(15)25/h1-8,11H,9-10,12H2,(H,21,24).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110673380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).