(3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one

C17H14Cl2N2O — CID 13339481

IUPAC(3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
SMILESCN(C)/C=C1\C(=O)N(c2cc(Cl)cc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H14Cl2N2O/c1-20(2)10-15-14-5-3-4-6-16(14)21(17(15)22)13-8-11(18)7-12(19)9-13/h3-10H,1-2H3/b15-10-
InChIKeyPJERYLOUCRZXMY-GDNBJRDFSA-N
MW333.22 g/mol
LogP4.57
Rot. Bonds2

About (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one

(3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one (PubChem CID 13339481) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
PubChem CID13339481
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name(3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
SMILESCN(C)/C=C1\C(=O)N(c2cc(Cl)cc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H14Cl2N2O/c1-20(2)10-15-14-5-3-4-6-16(14)21(17(15)22)13-8-11(18)7-12(19)9-13/h3-10H,1-2H3/b15-10-
InChIKeyPJERYLOUCRZXMY-GDNBJRDFSA-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
(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
2-(3,5-Dichlorophenyl)-1,2-benzoselenazol-3-one
CID 141556019
(4-Chlorophenyl)(indolin-1-yl)methanone
CID 792965
3-(2,6-Dichlorobenzylidene)indolin-2-one
CID 2047325
(E)-3-(2,4-dichlorophenyl)-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 2678425
(3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 10051324
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one
CID 10067716
(3Z)-3-benzylidene-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 44273821
(3E)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
CID 44273890

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The IUPAC name of (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one (CID 13339481) is (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The canonical SMILES for (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one is CN(C)/C=C1\C(=O)N(c2cc(Cl)cc(Cl)c2)c2ccccc21.
What is the InChIKey of (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The InChIKey is PJERYLOUCRZXMY-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-20(2)10-15-14-5-3-4-6-16(14)21(17(15)22)13-8-11(18)7-12(19)9-13/h3-10H,1-2H3/b15-10-.
What are the key properties of (3Z)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
(3Z)-1-(3,5-dichlorophenyl)-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)-1-(3,5-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one is sourced from PubChem (CID 13339481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).