N-(4-fluorophenyl)prop-2-enamide

C9H8FNO — CID 3250203

IUPACN-(4-fluorophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H8FNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)
InChIKeyLVCGCAYBLBKRDP-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.95
Rot. Bonds2

About N-(4-fluorophenyl)prop-2-enamide

N-(4-fluorophenyl)prop-2-enamide (PubChem CID 3250203) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is N-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)prop-2-enamide
PubChem CID3250203
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC NameN-(4-fluorophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H8FNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)
InChIKeyLVCGCAYBLBKRDP-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.95
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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Related Compounds

Acetanilide
CID 904
N-Phenylmaleimide
CID 13662
2-Methylacetanilide
CID 12107
m-Aminoacetanilide
CID 7604
Chloroacetanilide
CID 11485
Acetoacetanilide
CID 7592
4-Aminoacetanilide
CID 31230
Arsacetin
CID 95019
4-Fluorophenylurea
CID 12612
Thioglycolic acid anilide
CID 10382
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
2-Aminoacetanilide
CID 208384

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(4-fluorophenyl)prop-2-enamide (CID 3250203) is N-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(4-fluorophenyl)prop-2-enamide is C=CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)prop-2-enamide?
The InChIKey is LVCGCAYBLBKRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12).
What are the key properties of N-(4-fluorophenyl)prop-2-enamide?
N-(4-fluorophenyl)prop-2-enamide has a molecular weight of 165.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 3250203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).