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

C17H15F2NO2 — CID 9165751

IUPAC(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-13-8-9-14(18)15(19)11-13/h3-11H,2H2,1H3,(H,20,21)/b10-7+
InChIKeyCCTLPDKZXHDSES-JXMROGBWSA-N
MW303.31 g/mol
LogP4.02
Rot. Bonds5

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

(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 9165751) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID9165751
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-13-8-9-14(18)15(19)11-13/h3-11H,2H2,1H3,(H,20,21)/b10-7+
InChIKeyCCTLPDKZXHDSES-JXMROGBWSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 54.02
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-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide
CID 55819624
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 103597765
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide
CID 29304402
(E)-3-(2-ethoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 34039399
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide (CID 9165751) is (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is CCTLPDKZXHDSES-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-13-8-9-14(18)15(19)11-13/h3-11H,2H2,1H3,(H,20,21)/b10-7+.
What are the key properties of (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 303.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9165751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).