6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C22H18F2N4O — CID 91411132

IUPAC6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1/C=N/c1ccc(NCCc2cccnc2)c(F)c1
InChIInChI=1S/C22H18F2N4O/c23-15-3-5-17-18(22(29)28-21(17)10-15)13-27-16-4-6-20(19(24)11-16)26-9-7-14-2-1-8-25-12-14/h1-6,8,10-13,18,26H,7,9H2,(H,28,29)/b27-13+
InChIKeyPWRMFMJWBKZWBR-UVHMKAGCSA-N
MW392.41 g/mol
LogP4.45
Rot. Bonds6

About 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91411132) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91411132
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1/C=N/c1ccc(NCCc2cccnc2)c(F)c1
InChIInChI=1S/C22H18F2N4O/c23-15-3-5-17-18(22(29)28-21(17)10-15)13-27-16-4-6-20(19(24)11-16)26-9-7-14-2-1-8-25-12-14/h1-6,8,10-13,18,26H,7,9H2,(H,28,29)/b27-13+
InChIKeyPWRMFMJWBKZWBR-UVHMKAGCSA-N
XLogP4.45
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91423097
6-fluoro-3-[[3-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91469809
4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169012
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
5-bromo-2,4-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 102853347
4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605354
3-[[4-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-3-methylphenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90718823
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605305
6-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605106
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
3-[[4-[butyl(ethyl)amino]-3-fluorophenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91343024

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91411132) is 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1/C=N/c1ccc(NCCc2cccnc2)c(F)c1.
What is the InChIKey of 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is PWRMFMJWBKZWBR-UVHMKAGCSA-N. The full InChI is InChI=1S/C22H18F2N4O/c23-15-3-5-17-18(22(29)28-21(17)10-15)13-27-16-4-6-20(19(24)11-16)26-9-7-14-2-1-8-25-12-14/h1-6,8,10-13,18,26H,7,9H2,(H,28,29)/b27-13+.
What are the key properties of 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 392.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91411132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).