N-(3-cyano-4-fluorophenyl)but-2-enamide

C11H9FN2O — CID 78925603

IUPACN-(3-cyano-4-fluorophenyl)but-2-enamide
SMILESCC=CC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H9FN2O/c1-2-3-11(15)14-9-4-5-10(12)8(6-9)7-13/h2-6H,1H3,(H,14,15)
InChIKeyYBGALNLSNACNRO-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.21
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)but-2-enamide

N-(3-cyano-4-fluorophenyl)but-2-enamide (PubChem CID 78925603) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)but-2-enamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)but-2-enamide
PubChem CID78925603
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC NameN-(3-cyano-4-fluorophenyl)but-2-enamide
SMILESCC=CC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H9FN2O/c1-2-3-11(15)14-9-4-5-10(12)8(6-9)7-13/h2-6H,1H3,(H,14,15)
InChIKeyYBGALNLSNACNRO-UHFFFAOYSA-N
XLogP2.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.21
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

N-(3-amino-4-fluorophenyl)but-2-enamide
CID 76991046
(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
CID 97377775
5-(but-2-enoylamino)-2-fluorobenzamide
CID 112726723
3-(3-cyano-4-fluorophenyl)-1-ethyl-1-methylurea
CID 78925778
2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
CID 62315656
N-(3-cyanophenyl)but-2-enamide
CID 72539251
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
2-(3-cyano-4-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168610628
2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
CID 130856187
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
2-bromo-N-(3-cyano-4-fluorophenyl)butanamide
CID 62855843
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)but-2-enamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)but-2-enamide (CID 78925603) is N-(3-cyano-4-fluorophenyl)but-2-enamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)but-2-enamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)but-2-enamide is CC=CC(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)but-2-enamide?
The InChIKey is YBGALNLSNACNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-2-3-11(15)14-9-4-5-10(12)8(6-9)7-13/h2-6H,1H3,(H,14,15).
What are the key properties of N-(3-cyano-4-fluorophenyl)but-2-enamide?
N-(3-cyano-4-fluorophenyl)but-2-enamide has a molecular weight of 204.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)but-2-enamide is sourced from PubChem (CID 78925603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).