(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide

C14H14FN3O — CID 90264827

IUPAC(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NCCn1ccnc1
InChIInChI=1S/C14H14FN3O/c15-13-4-2-1-3-12(13)5-6-14(19)17-8-10-18-9-7-16-11-18/h1-7,9,11H,8,10H2,(H,17,19)/b6-5+
InChIKeyHGCQLQHFWCAXER-AATRIKPKSA-N
MW259.28 g/mol
LogP1.85
Rot. Bonds5

About (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide

(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide (PubChem CID 90264827) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide
PubChem CID90264827
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NCCn1ccnc1
InChIInChI=1S/C14H14FN3O/c15-13-4-2-1-3-12(13)5-6-14(19)17-8-10-18-9-7-16-11-18/h1-7,9,11H,8,10H2,(H,17,19)/b6-5+
InChIKeyHGCQLQHFWCAXER-AATRIKPKSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 176908605
(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 121019927
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
4-[3-(2-imidazol-1-ylethylamino)-3-oxoprop-1-enyl]benzoic acid;hydrochloride
CID 157466680
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 6225863
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
7-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]heptanoic acid
CID 43240080
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
(E)-3-(1,3-benzothiazol-2-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide
CID 56789537

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide (CID 90264827) is (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide is O=C(/C=C/c1ccccc1F)NCCn1ccnc1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide?
The InChIKey is HGCQLQHFWCAXER-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-13-4-2-1-3-12(13)5-6-14(19)17-8-10-18-9-7-16-11-18/h1-7,9,11H,8,10H2,(H,17,19)/b6-5+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide has a molecular weight of 259.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 90264827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).