(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide

C17H17FN2O — CID 115343914

IUPAC(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(N)cc1)c1ccccc1F
InChIInChI=1S/C17H17FN2O/c1-2-20(16-6-4-3-5-15(16)18)17(21)12-9-13-7-10-14(19)11-8-13/h3-12H,2,19H2,1H3/b12-9+
InChIKeyTWUOGGFUOHAUER-FMIVXFBMSA-N
MW284.33 g/mol
LogP3.47
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide (PubChem CID 115343914) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide
PubChem CID115343914
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(N)cc1)c1ccccc1F
InChIInChI=1S/C17H17FN2O/c1-2-20(16-6-4-3-5-15(16)18)17(21)12-9-13-7-10-14(19)11-8-13/h3-12H,2,19H2,1H3/b12-9+
InChIKeyTWUOGGFUOHAUER-FMIVXFBMSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
CID 165178394
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(E)-3-(4-aminophenyl)-N-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 115343890
(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide
CID 39380514
(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 115342919
3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
CID 879645
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
CID 79810988
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
(E)-3-(4-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343884
ethyl 3-[[(E)-3-(4-aminophenyl)prop-2-enoyl]-ethylamino]propanoate
CID 84552732

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide (CID 115343914) is (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide is CCN(C(=O)/C=C/c1ccc(N)cc1)c1ccccc1F.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide?
The InChIKey is TWUOGGFUOHAUER-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-20(16-6-4-3-5-15(16)18)17(21)12-9-13-7-10-14(19)11-8-13/h3-12H,2,19H2,1H3/b12-9+.
What are the key properties of (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide has a molecular weight of 284.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 115343914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).