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

C16H12FNO2 — CID 174372485

IUPAC2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1cccc(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H12FNO2/c1-10(16(18)20)12-3-2-4-13(9-12)15(19)11-5-7-14(17)8-6-11/h2-9H,1H2,(H2,18,20)
InChIKeyUJJDVHLFYMTNBQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.56
Rot. Bonds4

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

2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide (PubChem CID 174372485) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide
PubChem CID174372485
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1cccc(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H12FNO2/c1-10(16(18)20)12-3-2-4-13(9-12)15(19)11-5-7-14(17)8-6-11/h2-9H,1H2,(H2,18,20)
InChIKeyUJJDVHLFYMTNBQ-UHFFFAOYSA-N
XLogP2.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
(4-fluorophenyl)-phenylmethanone
CID 161464622
(4-fluorophenyl)-(3-propa-1,2-dienylphenyl)methanone
CID 150735803
(4-fluorophenyl)-[3-(2-phenylethynyl)phenyl]methanone
CID 68993545
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
diphenylmethanone;4-fluoroaniline
CID 174706224
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
CID 88641482
(4-fluorophenyl)-[3-[2-(3,4,5-trifluorophenyl)ethynyl]phenyl]methanone
CID 70116855
2-(3,4-dimethylphenyl)prop-2-enamide
CID 69495371
2-[3-(4-chlorophenyl)phenyl]prop-2-enamide
CID 174399268

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide?
The IUPAC name of 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide (CID 174372485) is 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide?
The canonical SMILES for 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide is C=C(C(N)=O)c1cccc(C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide?
The InChIKey is UJJDVHLFYMTNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-10(16(18)20)12-3-2-4-13(9-12)15(19)11-5-7-14(17)8-6-11/h2-9H,1H2,(H2,18,20).
What are the key properties of 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide?
2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide has a molecular weight of 269.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorobenzoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 174372485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).