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

C17H18FNO — CID 2914288

IUPAC4-fluoro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)15-9-11-16(18)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,19,20)
InChIKeyVGXJOGSDKWVMIE-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.58
Rot. Bonds5

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

4-fluoro-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2914288) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2914288
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)15-9-11-16(18)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,19,20)
InChIKeyVGXJOGSDKWVMIE-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 4-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-phenylbutan-2-yl)benzamide (CID 2914288) is 4-fluoro-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is VGXJOGSDKWVMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)15-9-11-16(18)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-N-(4-phenylbutan-2-yl)benzamide?
4-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 4-fluoro-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2914288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).