3-[4-(2-fluorophenyl)phenyl]prop-2-enamide

C15H12FNO — CID 165348625

IUPAC3-[4-(2-fluorophenyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C15H12FNO/c16-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(17)18/h1-10H,(H2,17,18)
InChIKeyAGGBSWCRELQZKA-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.99
Rot. Bonds3

About 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide

3-[4-(2-fluorophenyl)phenyl]prop-2-enamide (PubChem CID 165348625) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)phenyl]prop-2-enamide
PubChem CID165348625
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name3-[4-(2-fluorophenyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C15H12FNO/c16-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(17)18/h1-10H,(H2,17,18)
InChIKeyAGGBSWCRELQZKA-UHFFFAOYSA-N
XLogP2.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.99
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

3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide
CID 170876792
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
1,4-bis(2-fluorophenyl)benzene
CID 58121760
(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
CID 89009479
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid
CID 67741417
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
CID 55267922
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
(E)-4-[4-(2-fluorophenyl)phenyl]-4-oxobut-2-enoic acid
CID 21437942

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide?
The IUPAC name of 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide (CID 165348625) is 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide is NC(=O)C=Cc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide?
The InChIKey is AGGBSWCRELQZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(17)18/h1-10H,(H2,17,18).
What are the key properties of 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide?
3-[4-(2-fluorophenyl)phenyl]prop-2-enamide has a molecular weight of 241.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 165348625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).