2-fluoro-N-(4-phenylbutyl)benzamide

C17H18FNO — CID 2057513

IUPAC2-fluoro-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H18FNO/c18-16-12-5-4-11-15(16)17(20)19-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,19,20)
InChIKeyZCCNYJHDEDMNMJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.58
Rot. Bonds6

About 2-fluoro-N-(4-phenylbutyl)benzamide

2-fluoro-N-(4-phenylbutyl)benzamide (PubChem CID 2057513) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-fluoro-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-phenylbutyl)benzamide
PubChem CID2057513
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-fluoro-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H18FNO/c18-16-12-5-4-11-15(16)17(20)19-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,19,20)
InChIKeyZCCNYJHDEDMNMJ-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide
CID 2987506
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-phenylbutyl)benzamide?
The IUPAC name of 2-fluoro-N-(4-phenylbutyl)benzamide (CID 2057513) is 2-fluoro-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-phenylbutyl)benzamide is O=C(NCCCCc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-phenylbutyl)benzamide?
The InChIKey is ZCCNYJHDEDMNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-16-12-5-4-11-15(16)17(20)19-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,19,20).
What are the key properties of 2-fluoro-N-(4-phenylbutyl)benzamide?
2-fluoro-N-(4-phenylbutyl)benzamide has a molecular weight of 271.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 2057513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).