2-fluoro-N-phenacylbenzamide

C15H12FNO2 — CID 755776

IUPAC2-fluoro-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
InChIKeyMXTIIKZTVMPCNQ-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.44
Rot. Bonds4

About 2-fluoro-N-phenacylbenzamide

2-fluoro-N-phenacylbenzamide (PubChem CID 755776) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-fluoro-N-phenacylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-phenacylbenzamide
PubChem CID755776
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-fluoro-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
InChIKeyMXTIIKZTVMPCNQ-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-phenacylbenzamide?
The IUPAC name of 2-fluoro-N-phenacylbenzamide (CID 755776) is 2-fluoro-N-phenacylbenzamide.
What is the SMILES notation for 2-fluoro-N-phenacylbenzamide?
The canonical SMILES for 2-fluoro-N-phenacylbenzamide is O=C(CNC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-phenacylbenzamide?
The InChIKey is MXTIIKZTVMPCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19).
What are the key properties of 2-fluoro-N-phenacylbenzamide?
2-fluoro-N-phenacylbenzamide has a molecular weight of 257.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-phenacylbenzamide is sourced from PubChem (CID 755776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).