2-fluoro-N-(4-phenylbutan-2-yl)benzamide

C17H18FNO — CID 2915993

IUPAC2-fluoro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C17H18FNO/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyMGXVKAFLWRAWBO-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.58
Rot. Bonds5

About 2-fluoro-N-(4-phenylbutan-2-yl)benzamide

2-fluoro-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2915993) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-fluoro-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2915993
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-fluoro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C17H18FNO/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyMGXVKAFLWRAWBO-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(4-phenylbutan-2-yl)benzamide (CID 2915993) is 2-fluoro-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is MGXVKAFLWRAWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-N-(4-phenylbutan-2-yl)benzamide?
2-fluoro-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 271.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2915993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).