(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide

C19H16Cl2N2O — CID 108750525

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCn1ccc2ccccc21
InChIInChI=1S/C19H16Cl2N2O/c20-16-7-5-14(17(21)13-16)6-8-19(24)22-10-12-23-11-9-15-3-1-2-4-18(15)23/h1-9,11,13H,10,12H2,(H,22,24)/b8-6+
InChIKeyOJHKLGLCKQQLTG-SOFGYWHQSA-N
MW359.26 g/mol
LogP4.78
Rot. Bonds5

About (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide (PubChem CID 108750525) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
PubChem CID108750525
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCn1ccc2ccccc21
InChIInChI=1S/C19H16Cl2N2O/c20-16-7-5-14(17(21)13-16)6-8-19(24)22-10-12-23-11-9-15-3-1-2-4-18(15)23/h1-9,11,13H,10,12H2,(H,22,24)/b8-6+
InChIKeyOJHKLGLCKQQLTG-SOFGYWHQSA-N
XLogP4.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
CID 108750521
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
(E)-N-(4-aminobutyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 82335727
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 5056399
(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide
CID 107318451
(E)-3-(2,4-dichlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 7711717
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
CID 108750586
(E)-3-(2,4-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
CID 115703845

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide (CID 108750525) is (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NCCn1ccc2ccccc21.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide?
The InChIKey is OJHKLGLCKQQLTG-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c20-16-7-5-14(17(21)13-16)6-8-19(24)22-10-12-23-11-9-15-3-1-2-4-18(15)23/h1-9,11,13H,10,12H2,(H,22,24)/b8-6+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide has a molecular weight of 359.26 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 108750525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).