(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide

C18H18FNO — CID 9392275

IUPAC(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c1-14-4-2-3-5-16(14)8-11-18(21)20-13-12-15-6-9-17(19)10-7-15/h2-11H,12-13H2,1H3,(H,20,21)/b11-8+
InChIKeyGUCULMMVGMLBHX-DHZHZOJOSA-N
MW283.35 g/mol
LogP3.51
Rot. Bonds5

About (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide

(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide (PubChem CID 9392275) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
PubChem CID9392275
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c1-14-4-2-3-5-16(14)8-11-18(21)20-13-12-15-6-9-17(19)10-7-15/h2-11H,12-13H2,1H3,(H,20,21)/b11-8+
InChIKeyGUCULMMVGMLBHX-DHZHZOJOSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.51
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

(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
(E)-3-(2-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 50874871
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 9217685
1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903690
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510
3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide
CID 173355600
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
CID 108903493
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
(E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide
CID 55434215
(E)-3-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9392326

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide (CID 9392275) is (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide is Cc1ccccc1/C=C/C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is GUCULMMVGMLBHX-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18FNO/c1-14-4-2-3-5-16(14)8-11-18(21)20-13-12-15-6-9-17(19)10-7-15/h2-11H,12-13H2,1H3,(H,20,21)/b11-8+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide?
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 283.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9392275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).