(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one

C17H15ClN2O — CID 13339485

IUPAC(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
SMILESCN(C)/C=C1\C(=O)N(c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C17H15ClN2O/c1-19(2)11-13-12-7-3-5-9-15(12)20(17(13)21)16-10-6-4-8-14(16)18/h3-11H,1-2H3/b13-11-
InChIKeyVFSGUNVIULIBNN-QBFSEMIESA-N
MW298.77 g/mol
LogP3.92
Rot. Bonds2

About (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one

(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one (PubChem CID 13339485) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
PubChem CID13339485
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
SMILESCN(C)/C=C1\C(=O)N(c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C17H15ClN2O/c1-19(2)11-13-12-7-3-5-9-15(12)20(17(13)21)16-10-6-4-8-14(16)18/h3-11H,1-2H3/b13-11-
InChIKeyVFSGUNVIULIBNN-QBFSEMIESA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diclofenac lactam
CID 27211
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-(4-(4-(4-Chlorophenyl)-1-piperazinyl)butyl)indolin-2-one
CID 23653176
5-chloro-2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 25266663
6-chloro-2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 25266667
(3Z)-3-(2-chlorobenzylidene)-1,3-dihydro-2H-indol-2-one
CID 727521
3-(2-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539516
3-(3-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539519
3-(4-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539521
1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-indole-2,3-dione
CID 2247580
3-{4-[4-(4-Chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 11661471
3-{4-[4-(2-Chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24854370

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The IUPAC name of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one (CID 13339485) is (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The canonical SMILES for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one is CN(C)/C=C1\C(=O)N(c2ccccc2Cl)c2ccccc21.
What is the InChIKey of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The InChIKey is VFSGUNVIULIBNN-QBFSEMIESA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-19(2)11-13-12-7-3-5-9-15(12)20(17(13)21)16-10-6-4-8-14(16)18/h3-11H,1-2H3/b13-11-.
What are the key properties of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one has a molecular weight of 298.77 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one is sourced from PubChem (CID 13339485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).