(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

C19H17Cl2NO — CID 2337442

IUPAC(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1/C(=C/C(=O)c2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21
InChIInChI=1S/C19H17Cl2NO/c1-19(2)14-6-4-5-7-16(14)22(3)18(19)11-17(23)13-9-8-12(20)10-15(13)21/h4-11H,1-3H3/b18-11+
InChIKeyLKHDNTGUFQINBR-WOJGMQOQSA-N
MW346.26 g/mol
LogP5.49
Rot. Bonds2

About (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone

(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (PubChem CID 2337442) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
PubChem CID2337442
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
SMILESCN1/C(=C/C(=O)c2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21
InChIInChI=1S/C19H17Cl2NO/c1-19(2)14-6-4-5-7-16(14)22(3)18(19)11-17(23)13-9-8-12(20)10-15(13)21/h4-11H,1-3H3/b18-11+
InChIKeyLKHDNTGUFQINBR-WOJGMQOQSA-N
XLogP5.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.49
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

[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2,4-dichlorophenoxy)acetate
CID 3377126
5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
CID 46817883
1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 5067405
(2Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402485
(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402484
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-chloro-4-fluorobenzoate
CID 2091913
(2Z)-1-(3-bromophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 171981646
N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide
CID 4305840
1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 622375
(2E)-1-(4-ethylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2339263
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(2,4-dichlorophenoxy)butanoate
CID 3948455
1-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 3272421

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The IUPAC name of (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone (CID 2337442) is (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone.
What is the SMILES notation for (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The canonical SMILES for (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is CN1/C(=C/C(=O)c2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21.
What is the InChIKey of (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
The InChIKey is LKHDNTGUFQINBR-WOJGMQOQSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-19(2)14-6-4-5-7-16(14)22(3)18(19)11-17(23)13-9-8-12(20)10-15(13)21/h4-11H,1-3H3/b18-11+.
What are the key properties of (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone?
(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone has a molecular weight of 346.26 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone is sourced from PubChem (CID 2337442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).