N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide

C11H9FN2O — CID 156784802

IUPACN-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cccc(F)c1C#N
InChIInChI=1S/C11H9FN2O/c1-3-11(15)14(2)10-6-4-5-9(12)8(10)7-13/h3-6H,1H2,2H3
InChIKeyLFRPZNYAGLZMLH-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.85
Rot. Bonds2

About N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide

N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide (PubChem CID 156784802) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide
PubChem CID156784802
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC NameN-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cccc(F)c1C#N
InChIInChI=1S/C11H9FN2O/c1-3-11(15)14(2)10-6-4-5-9(12)8(10)7-13/h3-6H,1H2,2H3
InChIKeyLFRPZNYAGLZMLH-UHFFFAOYSA-N
XLogP1.85
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyano-3-fluoro-N-methylanilino)acetic acid
CID 79015712
2-[N-(carboxymethyl)-2-cyano-3-fluoroanilino]acetic acid
CID 79513207
2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide
CID 78910916
1-(2-cyano-3-fluoro-N-methylanilino)-1-methylthiourea
CID 20849486
2-fluoro-6-(4-fluoro-N-methylanilino)benzonitrile
CID 79513223
2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
CID 79513025
2-fluoro-6-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 115765243
2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
CID 115650123
2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile
CID 103188867
2-[butan-2-yl(ethyl)amino]-6-fluorobenzonitrile
CID 79512921
2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile
CID 79513658
2-fluoro-6-[methyl(4-methylpentan-2-yl)amino]benzonitrile
CID 78958831

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide (CID 156784802) is N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide is C=CC(=O)N(C)c1cccc(F)c1C#N.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide?
The InChIKey is LFRPZNYAGLZMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-3-11(15)14(2)10-6-4-5-9(12)8(10)7-13/h3-6H,1H2,2H3.
What are the key properties of N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide?
N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide has a molecular weight of 204.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 156784802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).