(E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide

C19H20FNO — CID 6080239

IUPAC(E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
SMILESCc1ccc(C(C)NC(=O)/C=C/c2ccccc2F)cc1C
InChIInChI=1S/C19H20FNO/c1-13-8-9-17(12-14(13)2)15(3)21-19(22)11-10-16-6-4-5-7-18(16)20/h4-12,15H,1-3H3,(H,21,22)/b11-10+
InChIKeyJYIMOFUXYBJMAL-ZHACJKMWSA-N
MW297.37 g/mol
LogP4.33
Rot. Bonds4

About (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide

(E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 6080239) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
PubChem CID6080239
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
SMILESCc1ccc(C(C)NC(=O)/C=C/c2ccccc2F)cc1C
InChIInChI=1S/C19H20FNO/c1-13-8-9-17(12-14(13)2)15(3)21-19(22)11-10-16-6-4-5-7-18(16)20/h4-12,15H,1-3H3,(H,21,22)/b11-10+
InChIKeyJYIMOFUXYBJMAL-ZHACJKMWSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide (CID 6080239) is (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide is Cc1ccc(C(C)NC(=O)/C=C/c2ccccc2F)cc1C.
What is the InChIKey of (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is JYIMOFUXYBJMAL-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-8-9-17(12-14(13)2)15(3)21-19(22)11-10-16-6-4-5-7-18(16)20/h4-12,15H,1-3H3,(H,21,22)/b11-10+.
What are the key properties of (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 297.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(3,4-dimethylphenyl)ethyl]-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 6080239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).