(3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one

C17H14Cl2N2O — CID 13339498

IUPAC(3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
SMILESCN(C)/C=C1\C(=O)N(c2cccc(Cl)c2)c2cc(Cl)ccc21
InChIInChI=1S/C17H14Cl2N2O/c1-20(2)10-15-14-7-6-12(19)9-16(14)21(17(15)22)13-5-3-4-11(18)8-13/h3-10H,1-2H3/b15-10-
InChIKeyDDYWMHMTGCZYCT-GDNBJRDFSA-N
MW333.22 g/mol
LogP4.57
Rot. Bonds2

About (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one

(3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one (PubChem CID 13339498) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
PubChem CID13339498
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name(3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
SMILESCN(C)/C=C1\C(=O)N(c2cccc(Cl)c2)c2cc(Cl)ccc21
InChIInChI=1S/C17H14Cl2N2O/c1-20(2)10-15-14-7-6-12(19)9-16(14)21(17(15)22)13-5-3-4-11(18)8-13/h3-10H,1-2H3/b15-10-
InChIKeyDDYWMHMTGCZYCT-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The IUPAC name of (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one (CID 13339498) is (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one.
What is the SMILES notation for (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The canonical SMILES for (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one is CN(C)/C=C1\C(=O)N(c2cccc(Cl)c2)c2cc(Cl)ccc21.
What is the InChIKey of (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
The InChIKey is DDYWMHMTGCZYCT-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-20(2)10-15-14-7-6-12(19)9-16(14)21(17(15)22)13-5-3-4-11(18)8-13/h3-10H,1-2H3/b15-10-.
What are the key properties of (3Z)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one?
(3Z)-6-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)-6-chloro-1-(3-chlorophenyl)-3-(dimethylaminomethylidene)indol-2-one is sourced from PubChem (CID 13339498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).