(E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C17H15F2NO3 — CID 892740

IUPAC(E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H15F2NO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-14-6-5-12(18)10-13(14)19/h3-10H,1-2H3,(H,20,21)/b8-4+
InChIKeyMVXTULTZZNGBFV-XBXARRHUSA-N
MW319.31 g/mol
LogP3.63
Rot. Bonds5

About (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

(E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 892740) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID892740
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name(E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H15F2NO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-14-6-5-12(18)10-13(14)19/h3-10H,1-2H3,(H,20,21)/b8-4+
InChIKeyMVXTULTZZNGBFV-XBXARRHUSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 892740) is (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1OC.
What is the InChIKey of (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is MVXTULTZZNGBFV-XBXARRHUSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-14-6-5-12(18)10-13(14)19/h3-10H,1-2H3,(H,20,21)/b8-4+.
What are the key properties of (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 319.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 892740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).