3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide

C11H12FNO — CID 76872152

IUPAC3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccccc1F
InChIInChI=1S/C11H12FNO/c1-13(2)11(14)8-7-9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKeyUYGCVFVWUSHMGS-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.93
Rot. Bonds2

About 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide

3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide (PubChem CID 76872152) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
PubChem CID76872152
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccccc1F
InChIInChI=1S/C11H12FNO/c1-13(2)11(14)8-7-9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKeyUYGCVFVWUSHMGS-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 115691465
methyl 3-[3-(2-fluorophenyl)prop-2-enoyl-methylamino]-2-methylpropanoate
CID 76912312
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
methyl 3-[ethyl-[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]propanoate
CID 61010599
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
4-(2-fluorophenyl)-1-phenylbut-3-ene-1,2-dione
CID 71861127
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
4-[3-(2-fluorophenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4041053
2-[3-(2-fluorophenyl)prop-2-enoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78989745
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
(E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438334

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide (CID 76872152) is 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)C=Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is UYGCVFVWUSHMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13(2)11(14)8-7-9-5-3-4-6-10(9)12/h3-8H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide?
3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 193.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 76872152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).