(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide

C22H23FN2O — CID 71499414

IUPAC(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCc1cc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc(C)c1F
InChIInChI=1S/C22H23FN2O/c1-15-12-18(13-16(2)22(15)23)8-9-21(26)24-10-11-25-17(3)14-19-6-4-5-7-20(19)25/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)/b9-8+
InChIKeyACJLELIGJGCTIM-CMDGGOBGSA-N
MW350.44 g/mol
LogP4.54
Rot. Bonds5

About (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide

(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (PubChem CID 71499414) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
PubChem CID71499414
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCc1cc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc(C)c1F
InChIInChI=1S/C22H23FN2O/c1-15-12-18(13-16(2)22(15)23)8-9-21(26)24-10-11-25-17(3)14-19-6-4-5-7-20(19)25/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)/b9-8+
InChIKeyACJLELIGJGCTIM-CMDGGOBGSA-N
XLogP4.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.54
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (CID 71499414) is (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is Cc1cc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc(C)c1F.
What is the InChIKey of (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The InChIKey is ACJLELIGJGCTIM-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-15-12-18(13-16(2)22(15)23)8-9-21(26)24-10-11-25-17(3)14-19-6-4-5-7-20(19)25/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)/b9-8+.
What are the key properties of (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide has a molecular weight of 350.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 71499414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).