N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide

C17H15FN2O2 — CID 3454978

IUPACN-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)C=Cc2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O2/c1-12(21)19-14-7-9-15(10-8-14)20-17(22)11-6-13-4-2-3-5-16(13)18/h2-11H,1H3,(H,19,21)(H,20,22)
InChIKeyZBQSMGHLTUCHQV-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.44
Rot. Bonds4

About N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide

N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 3454978) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID3454978
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)C=Cc2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O2/c1-12(21)19-14-7-9-15(10-8-14)20-17(22)11-6-13-4-2-3-5-16(13)18/h2-11H,1H3,(H,19,21)(H,20,22)
InChIKeyZBQSMGHLTUCHQV-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
CID 7925007
methyl 2-[[4-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoyl]amino]acetate
CID 51213111
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833
methyl 3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 26240448
N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide
CID 39735035
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933370

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide (CID 3454978) is N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide is CC(=O)Nc1ccc(NC(=O)C=Cc2ccccc2F)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is ZBQSMGHLTUCHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12(21)19-14-7-9-15(10-8-14)20-17(22)11-6-13-4-2-3-5-16(13)18/h2-11H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide?
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 298.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 3454978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).