4-fluoro-N-(3-phenylpropyl)benzamide

C16H16FNO — CID 2164200

IUPAC4-fluoro-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c17-15-10-8-14(9-11-15)16(19)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,19)
InChIKeySXACABHQNNLRCM-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.19
Rot. Bonds5

About 4-fluoro-N-(3-phenylpropyl)benzamide

4-fluoro-N-(3-phenylpropyl)benzamide (PubChem CID 2164200) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-fluoro-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-phenylpropyl)benzamide
PubChem CID2164200
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-fluoro-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c17-15-10-8-14(9-11-15)16(19)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,19)
InChIKeySXACABHQNNLRCM-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-phenylpropyl)benzamide (CID 2164200) is 4-fluoro-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-phenylpropyl)benzamide?
The InChIKey is SXACABHQNNLRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-10-8-14(9-11-15)16(19)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,19).
What are the key properties of 4-fluoro-N-(3-phenylpropyl)benzamide?
4-fluoro-N-(3-phenylpropyl)benzamide has a molecular weight of 257.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 2164200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).