5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one

C16H13ClN2O2 — CID 43732708

IUPAC5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1ccc2c(c1)CCO2
InChIInChI=1S/C16H13ClN2O2/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-4,7-8,15,18H,5-6H2,(H,19,20)
InChIKeyPVYBEDUAHISYJV-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.38
Rot. Bonds2

About 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one

5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43732708) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one
PubChem CID43732708
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1ccc2c(c1)CCO2
InChIInChI=1S/C16H13ClN2O2/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-4,7-8,15,18H,5-6H2,(H,19,20)
InChIKeyPVYBEDUAHISYJV-UHFFFAOYSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 43732703
3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one
CID 43687791
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 43824703
5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
CID 43716228
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one
CID 43095076
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
3-(2,3-dihydro-1-benzofuran-5-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633647
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79860663

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one (CID 43732708) is 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1Nc1ccc2c(c1)CCO2.
What is the InChIKey of 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is PVYBEDUAHISYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-4,7-8,15,18H,5-6H2,(H,19,20).
What are the key properties of 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one?
5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 300.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43732708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).