(Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide

C16H15FN2O — CID 86836437

IUPAC(Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide
SMILESC/C(=C/C(=O)NCc1ccncc1)c1ccccc1F
InChIInChI=1S/C16H15FN2O/c1-12(14-4-2-3-5-15(14)17)10-16(20)19-11-13-6-8-18-9-7-13/h2-10H,11H2,1H3,(H,19,20)/b12-10-
InChIKeyZFTIYBGHGRJIRF-BENRWUELSA-N
MW270.31 g/mol
LogP2.94
Rot. Bonds4

About (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide

(Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide (PubChem CID 86836437) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide
PubChem CID86836437
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide
SMILESC/C(=C/C(=O)NCc1ccncc1)c1ccccc1F
InChIInChI=1S/C16H15FN2O/c1-12(14-4-2-3-5-15(14)17)10-16(20)19-11-13-6-8-18-9-7-13/h2-10H,11H2,1H3,(H,19,20)/b12-10-
InChIKeyZFTIYBGHGRJIRF-BENRWUELSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-N-(1-pyridin-4-ylethyl)but-2-enamide
CID 103598516
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
3-fluoro-N-[2-[[(E)-3-(2-fluorophenyl)but-2-enoyl]amino]ethyl]-4-methylbenzamide
CID 97435173
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
N'-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947828
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 126191968
(Z)-N-(1H-benzimidazol-2-yl)-3-(2-fluorophenyl)but-2-enamide
CID 60575761
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide?
The IUPAC name of (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide (CID 86836437) is (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide.
What is the SMILES notation for (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide?
The canonical SMILES for (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide is C/C(=C/C(=O)NCc1ccncc1)c1ccccc1F.
What is the InChIKey of (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide?
The InChIKey is ZFTIYBGHGRJIRF-BENRWUELSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-12(14-4-2-3-5-15(14)17)10-16(20)19-11-13-6-8-18-9-7-13/h2-10H,11H2,1H3,(H,19,20)/b12-10-.
What are the key properties of (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide?
(Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide has a molecular weight of 270.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 86836437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).