(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide

C17H13FN2O2 — CID 7480752

IUPAC(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H13FN2O2/c1-22-14-6-4-5-12(10-14)9-13(11-19)17(21)20-16-8-3-2-7-15(16)18/h2-10H,1H3,(H,20,21)/b13-9+
InChIKeyJYLNJISYZQARKB-UKTHLTGXSA-N
MW296.30 g/mol
LogP3.38
Rot. Bonds4

About (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide

(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 7480752) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID7480752
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H13FN2O2/c1-22-14-6-4-5-12(10-14)9-13(11-19)17(21)20-16-8-3-2-7-15(16)18/h2-10H,1H3,(H,20,21)/b13-9+
InChIKeyJYLNJISYZQARKB-UKTHLTGXSA-N
XLogP3.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 124656696
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 7801439
2-cyano-3-[3-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]-N-(4-methylphenyl)prop-2-enamide
CID 5041336
2-cyano-3-(3,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 78575259
(Z)-2-cyano-3-(2-fluorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 51166998
(E)-2-cyano-N-(3-iodophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 35559873
(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 19169431
(Z)-2-cyano-N-(2-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 124661262
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
2-cyano-3-(3-methoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 3686418
N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6174024
(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 35746506

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 7480752) is (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1.
What is the InChIKey of (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is JYLNJISYZQARKB-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-22-14-6-4-5-12(10-14)9-13(11-19)17(21)20-16-8-3-2-7-15(16)18/h2-10H,1H3,(H,20,21)/b13-9+.
What are the key properties of (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 296.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7480752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).