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

C17H18FNO — CID 2914829

IUPAC3-fluoro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)
InChIKeyVVETYJRPGACGCD-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.58
Rot. Bonds5

About 3-fluoro-N-(4-phenylbutan-2-yl)benzamide

3-fluoro-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2914829) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-fluoro-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2914829
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-fluoro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)
InChIKeyVVETYJRPGACGCD-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 3-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(4-phenylbutan-2-yl)benzamide (CID 2914829) is 3-fluoro-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is VVETYJRPGACGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-fluoro-N-(4-phenylbutan-2-yl)benzamide?
3-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 3-fluoro-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2914829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).