(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide

C17H17FN2O2 — CID 39423072

IUPAC(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-22-14-7-5-13(6-8-14)20-17(21)10-4-12-3-9-15(18)16(19)11-12/h3-11H,2,19H2,1H3,(H,20,21)/b10-4+
InChIKeyBDYHWTAKXCJMPY-ONNFQVAWSA-N
MW300.33 g/mol
LogP3.46
Rot. Bonds5

About (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide

(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 39423072) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
PubChem CID39423072
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-22-14-7-5-13(6-8-14)20-17(21)10-4-12-3-9-15(18)16(19)11-12/h3-11H,2,19H2,1H3,(H,20,21)/b10-4+
InChIKeyBDYHWTAKXCJMPY-ONNFQVAWSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39456290
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide
CID 94760327
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide (CID 39423072) is (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccc(F)c(N)c2)cc1.
What is the InChIKey of (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is BDYHWTAKXCJMPY-ONNFQVAWSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-22-14-7-5-13(6-8-14)20-17(21)10-4-12-3-9-15(18)16(19)11-12/h3-11H,2,19H2,1H3,(H,20,21)/b10-4+.
What are the key properties of (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 300.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 39423072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).