(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide

C17H15BrFNO — CID 53268248

IUPAC(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C17H15BrFNO/c1-2-12-5-9-16(15(18)11-12)20-17(21)10-6-13-3-7-14(19)8-4-13/h3-11H,2H2,1H3,(H,20,21)/b10-6+
InChIKeyIJSKLFHTWXTPAL-UXBLZVDNSA-N
MW348.22 g/mol
LogP4.80
Rot. Bonds4

About (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 53268248) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID53268248
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C17H15BrFNO/c1-2-12-5-9-16(15(18)11-12)20-17(21)10-6-13-3-7-14(19)8-4-13/h3-11H,2H2,1H3,(H,20,21)/b10-6+
InChIKeyIJSKLFHTWXTPAL-UXBLZVDNSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.80
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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Related Compounds

(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 53268229
N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
CID 74868716
(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 53267822
(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 81271763
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
(E)-3-(4-aminophenyl)-N-(5-ethyl-2-hydroxyphenyl)prop-2-enamide
CID 115344623
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028
(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
N-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76890361
methyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzoate
CID 36928861
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 53268248) is (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide is CCc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1.
What is the InChIKey of (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is IJSKLFHTWXTPAL-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-2-12-5-9-16(15(18)11-12)20-17(21)10-6-13-3-7-14(19)8-4-13/h3-11H,2H2,1H3,(H,20,21)/b10-6+.
What are the key properties of (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 348.22 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 53268248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).