N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide

C11H12FNO — CID 162746987

IUPACN-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(C)ccc(F)c1C
InChIInChI=1S/C11H12FNO/c1-4-10(14)13-11-7(2)5-6-9(12)8(11)3/h4-6H,1H2,2-3H3,(H,13,14)
InChIKeyIOLCBRUFJRZLGA-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.57
Rot. Bonds2

About N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide

N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide (PubChem CID 162746987) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide
PubChem CID162746987
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC NameN-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(C)ccc(F)c1C
InChIInChI=1S/C11H12FNO/c1-4-10(14)13-11-7(2)5-6-9(12)8(11)3/h4-6H,1H2,2-3H3,(H,13,14)
InChIKeyIOLCBRUFJRZLGA-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide?
The IUPAC name of N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide (CID 162746987) is N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide?
The canonical SMILES for N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide is C=CC(=O)Nc1c(C)ccc(F)c1C.
What is the InChIKey of N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide?
The InChIKey is IOLCBRUFJRZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-4-10(14)13-11-7(2)5-6-9(12)8(11)3/h4-6H,1H2,2-3H3,(H,13,14).
What are the key properties of N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide?
N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide has a molecular weight of 193.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 162746987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).