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

C11H9FN2O — CID 19183427

IUPAC(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccccc1F
InChIInChI=1S/C11H9FN2O/c1-14-11(15)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3,(H,14,15)/b9-6-
InChIKeyPUWQZMRDEHAOFN-TWGQIWQCSA-N
MW204.20 g/mol
LogP1.48
Rot. Bonds2

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

(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide (PubChem CID 19183427) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
PubChem CID19183427
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccccc1F
InChIInChI=1S/C11H9FN2O/c1-14-11(15)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3,(H,14,15)/b9-6-
InChIKeyPUWQZMRDEHAOFN-TWGQIWQCSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide
CID 3906510
2-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]benzoic acid
CID 19183471
2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 4517104
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190
(E)-2-cyano-N-(2,3-dimethylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 51167071
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 7969019
(E)-2-cyano-3-(2,3-difluorophenyl)-N-propan-2-ylprop-2-enamide
CID 75370058
(Z)-2-cyano-3-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 51167138
(Z)-2-cyano-3-(2-fluorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 51166998
(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2424258
(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
CID 878957
(E)-3-(2-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
CID 112979455

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide (CID 19183427) is (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide is CNC(=O)/C(C#N)=C\c1ccccc1F.
What is the InChIKey of (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide?
The InChIKey is PUWQZMRDEHAOFN-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-14-11(15)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3,(H,14,15)/b9-6-.
What are the key properties of (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide?
(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide has a molecular weight of 204.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 19183427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).