1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one

C21H13Cl2FN2O — CID 3692930

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one
SMILESO=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C21H13Cl2FN2O/c22-17-5-3-6-18(23)16(17)12-26-19-7-2-1-4-15(19)20(21(26)27)25-14-10-8-13(24)9-11-14/h1-11H,12H2/b25-20+
InChIKeyWRQCOCYBTYNQBH-LKUDQCMESA-N
MW399.25 g/mol
LogP5.80
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one

1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one (PubChem CID 3692930) has the molecular formula C21H13Cl2FN2O and a molecular weight of 399.25 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one
PubChem CID3692930
Molecular FormulaC21H13Cl2FN2O
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one
SMILESO=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C21H13Cl2FN2O/c22-17-5-3-6-18(23)16(17)12-26-19-7-2-1-4-15(19)20(21(26)27)25-14-10-8-13(24)9-11-14/h1-11H,12H2/b25-20+
InChIKeyWRQCOCYBTYNQBH-LKUDQCMESA-N
XLogP5.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.25
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ldn-57444
CID 16760696
[(E)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
CID 51537051
3-(3,4-Dichlorophenyl)imino-1-prop-2-enylindol-2-one
CID 3561805
(3e)-1-(3-Chlorophenyl)-5-(4-chlorophenyl)-3-[(3-chlorophenyl)imino]pyrrolidin-2-one
CID 224636
UCH-L1 Inhibitor
CID 24906255
Nsc322346
CID 135914959
Isatin, azine with 2-chlorobenzaldehyde
CID 135452553
1-Benzyl-3-(4-chlorophenyl)iminoindol-2-one
CID 102334277
Benzeneacetamide, 2-chloro-N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,3-benzodiazepin-2-yl)methyl)-, monohydrochloride
CID 3068760
(3E)-3-[(3-chloro-4-fluorophenyl)imino]-1-(piperidin-1-ylmethyl)-1,3-dihydro-2H-indol-2-one
CID 1254989
(3E)-1-(2,6-dichlorophenyl)-3-[(4-fluorophenyl)methylidene]indol-2-one
CID 44583075
1-Benzyl-3-(4-fluorophenyl)iminoindol-2-one
CID 60169741

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one (CID 3692930) is 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one is O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one?
The InChIKey is WRQCOCYBTYNQBH-LKUDQCMESA-N. The full InChI is InChI=1S/C21H13Cl2FN2O/c22-17-5-3-6-18(23)16(17)12-26-19-7-2-1-4-15(19)20(21(26)27)25-14-10-8-13(24)9-11-14/h1-11H,12H2/b25-20+.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one?
1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one has a molecular weight of 399.25 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one is sourced from PubChem (CID 3692930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).