(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide

C12H10FNO — CID 39736966

IUPAC(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
SMILESC#CCNC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C12H10FNO/c1-2-9-14-12(15)8-7-10-5-3-4-6-11(10)13/h1,3-8H,9H2,(H,14,15)/b8-7+
InChIKeyBGMVEUVNJPGZPS-BQYQJAHWSA-N
MW203.22 g/mol
LogP1.59
Rot. Bonds3

About (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide

(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide (PubChem CID 39736966) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
PubChem CID39736966
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
SMILESC#CCNC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C12H10FNO/c1-2-9-14-12(15)8-7-10-5-3-4-6-11(10)13/h1,3-8H,9H2,(H,14,15)/b8-7+
InChIKeyBGMVEUVNJPGZPS-BQYQJAHWSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
CID 131848081
(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059614
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide;hydrochloride
CID 158649550
(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115968924
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
7-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]heptanoic acid
CID 43240080
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
tert-butyl N-[3-[3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]propylamino]-3-oxopropyl]carbamate
CID 108921699
(E)-3-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8969489

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide (CID 39736966) is (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide is C#CCNC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide?
The InChIKey is BGMVEUVNJPGZPS-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H10FNO/c1-2-9-14-12(15)8-7-10-5-3-4-6-11(10)13/h1,3-8H,9H2,(H,14,15)/b8-7+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide?
(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide has a molecular weight of 203.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide is sourced from PubChem (CID 39736966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).