(E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide

C21H19F3N2O2 — CID 90677050

IUPAC(E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1
InChIInChI=1S/C21H19F3N2O2/c1-28-17-9-6-15(7-10-17)8-11-20(27)25-12-13-26-18-5-3-2-4-16(18)14-19(26)21(22,23)24/h2-11,14H,12-13H2,1H3,(H,25,27)/b11-8+
InChIKeyRBOZWBMOMNBVNB-DHZHZOJOSA-N
MW388.39 g/mol
LogP4.50
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide (PubChem CID 90677050) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide
PubChem CID90677050
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1
InChIInChI=1S/C21H19F3N2O2/c1-28-17-9-6-15(7-10-17)8-11-20(27)25-12-13-26-18-5-3-2-4-16(18)14-19(26)21(22,23)24/h2-11,14H,12-13H2,1H3,(H,25,27)/b11-8+
InChIKeyRBOZWBMOMNBVNB-DHZHZOJOSA-N
XLogP4.50
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3655068
(E)-3-[4-[3-(dimethylamino)propoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
CID 90677072
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
tert-butyl N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]carbamate
CID 165340759
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide
CID 90680590
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
3-(4-methoxyphenyl)-N-[2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 1008919
(Z)-3-(4-methoxyphenyl)-N-[2-[4-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 92903724
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 26443945

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide (CID 90677050) is (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide?
The InChIKey is RBOZWBMOMNBVNB-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-28-17-9-6-15(7-10-17)8-11-20(27)25-12-13-26-18-5-3-2-4-16(18)14-19(26)21(22,23)24/h2-11,14H,12-13H2,1H3,(H,25,27)/b11-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide has a molecular weight of 388.39 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 90677050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).