3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one

C16H13ClN2O — CID 90992179

IUPAC3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3ccccc32)ccc1Cl
InChIInChI=1S/C16H13ClN2O/c1-10-8-11(6-7-14(10)17)18-9-13-12-4-2-3-5-15(12)19-16(13)20/h2-9,13H,1H3,(H,19,20)/b18-9+
InChIKeySVWKHGFANAOMQZ-GIJQJNRQSA-N
MW284.75 g/mol
LogP4.09
Rot. Bonds2

About 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one

3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90992179) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90992179
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3ccccc32)ccc1Cl
InChIInChI=1S/C16H13ClN2O/c1-10-8-11(6-7-14(10)17)18-9-13-12-4-2-3-5-15(12)19-16(13)20/h2-9,13H,1H3,(H,19,20)/b18-9+
InChIKeySVWKHGFANAOMQZ-GIJQJNRQSA-N
XLogP4.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90708413
3-[(4-aminophenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90740050
5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 91132668
2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91139489
2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole
CID 91120998
3-[[4-(1,3-dihydroisoindol-2-yl)-3-fluorophenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91430072
3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91543672
3-[(2-chlorophenyl)methyliminomethyl]-1,3-dihydroindol-2-one
CID 6936861
3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91325477
3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one
CID 91455087
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453
3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90910152

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one (CID 90992179) is 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one is Cc1cc(/N=C/C2C(=O)Nc3ccccc32)ccc1Cl.
What is the InChIKey of 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is SVWKHGFANAOMQZ-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-8-11(6-7-14(10)17)18-9-13-12-4-2-3-5-15(12)19-16(13)20/h2-9,13H,1H3,(H,19,20)/b18-9+.
What are the key properties of 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 284.75 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90992179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).