6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene

C24H19ClFNO — CID 144866763

IUPAC6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene
SMILESC=C1C(=O)Nc2cc(Cl)c(-c3ccc(C4CC4)cc3)cc21.Fc1ccccc1
InChIInChI=1S/C18H14ClNO.C6H5F/c1-10-14-8-15(16(19)9-17(14)20-18(10)21)13-6-4-12(5-7-13)11-2-3-11;7-6-4-2-1-3-5-6/h4-9,11H,1-3H2,(H,20,21);1-5H
InChIKeyKTKADJDKIMRMJW-UHFFFAOYSA-N
MW391.87 g/mol
LogP6.68
Rot. Bonds2

About 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene

6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene (PubChem CID 144866763) has the molecular formula C24H19ClFNO and a molecular weight of 391.87 g/mol. Its IUPAC name is 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene.

Molecular Properties

Compound Name6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene
PubChem CID144866763
Molecular FormulaC24H19ClFNO
Molecular Weight391.87 g/mol
Exact Mass391.11
IUPAC Name6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene
SMILESC=C1C(=O)Nc2cc(Cl)c(-c3ccc(C4CC4)cc3)cc21.Fc1ccccc1
InChIInChI=1S/C18H14ClNO.C6H5F/c1-10-14-8-15(16(19)9-17(14)20-18(10)21)13-6-4-12(5-7-13)11-2-3-11;7-6-4-2-1-3-5-6/h4-9,11H,1-3H2,(H,20,21);1-5H
InChIKeyKTKADJDKIMRMJW-UHFFFAOYSA-N
XLogP6.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.87
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-cyclohexyl-3-methylidene-1H-indol-2-one
CID 168982745
5-[4-(2-amino-3-ethylphenyl)phenyl]-6-chloro-3-methylidene-1H-indol-2-one;5-methyl-2H-pyrrole
CID 144866724
carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene
CID 121300210
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
2-chloro-3-[4-(4-chlorophenyl)cyclohexyl]-4-methylidenenaphthalen-1-one
CID 89094119
2-chloro-1-(4-fluorophenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 102152467
2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene
CID 170293668
(3Z)-6-chloro-3-[(3R,4R)-3-chloro-2-oxo-4-phenylazetidin-1-yl]imino-5-fluoro-1H-indol-2-one
CID 135828050
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
9-(4-fluorophenyl)-6-(4-phenylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17062339
1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 139911116
2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione
CID 18451548

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene?
The IUPAC name of 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene (CID 144866763) is 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene.
What is the SMILES notation for 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene?
The canonical SMILES for 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene is C=C1C(=O)Nc2cc(Cl)c(-c3ccc(C4CC4)cc3)cc21.Fc1ccccc1.
What is the InChIKey of 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene?
The InChIKey is KTKADJDKIMRMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO.C6H5F/c1-10-14-8-15(16(19)9-17(14)20-18(10)21)13-6-4-12(5-7-13)11-2-3-11;7-6-4-2-1-3-5-6/h4-9,11H,1-3H2,(H,20,21);1-5H.
What are the key properties of 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene?
6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene has a molecular weight of 391.87 g/mol, XLogP of 6.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene is sourced from PubChem (CID 144866763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).