(3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one

C17H14Cl2N2O — CID 13339494

IUPAC(3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
SMILESCN(C)/C=C1\C(=O)N(c2cccc(Cl)c2)c2cccc(Cl)c21
InChIInChI=1S/C17H14Cl2N2O/c1-20(2)10-13-16-14(19)7-4-8-15(16)21(17(13)22)12-6-3-5-11(18)9-12/h3-10H,1-2H3/b13-10-
InChIKeyGQFJGPLXCBUHOH-RAXLEYEMSA-N
MW333.22 g/mol
LogP4.57
Rot. Bonds2

About (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one

(3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one (PubChem CID 13339494) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
PubChem CID13339494
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name(3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
SMILESCN(C)/C=C1\C(=O)N(c2cccc(Cl)c2)c2cccc(Cl)c21
InChIInChI=1S/C17H14Cl2N2O/c1-20(2)10-13-16-14(19)7-4-8-15(16)21(17(13)22)12-6-3-5-11(18)9-12/h3-10H,1-2H3/b13-10-
InChIKeyGQFJGPLXCBUHOH-RAXLEYEMSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.57
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-(4-(4-Chlorophenyl)-1-piperazinyl)butyl)indolin-2-one
CID 23653176
(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
(2,5-Dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 783595
(2,4-Dichloro-phenyl)-(2,3-dihydro-indol-1-yl)-methanone
CID 819675
3-Benzyl-1-(3,5-dichloro-phenyl)-3-methyl-1,3-dihydro-indol-2-one
CID 9800103
(E)-4-chloro-3-(2-(4-chlorophenyl)-2-oxoethylidene)indolin-2-one
CID 54584757
(E)-4-chloro-3-(2-(3-chlorophenyl)-2-oxoethylidene)indolin-2-one
CID 54585688
2-(3-Chloro-2-methylphenyl)-1,2-benzoselenazol-3-one
CID 88621283
(4-Chlorophenyl)(indolin-1-yl)methanone
CID 792965
2-(3-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 780576

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The IUPAC name of (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one (CID 13339494) is (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one.
What is the SMILES notation for (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The canonical SMILES for (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one is CN(C)/C=C1\C(=O)N(c2cccc(Cl)c2)c2cccc(Cl)c21.
What is the InChIKey of (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The InChIKey is GQFJGPLXCBUHOH-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-20(2)10-13-16-14(19)7-4-8-15(16)21(17(13)22)12-6-3-5-11(18)9-12/h3-10H,1-2H3/b13-10-.
What are the key properties of (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
(3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one has a molecular weight of 333.22 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one is sourced from PubChem (CID 13339494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).