2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide

C16H15BrFNO — CID 115678122

IUPAC2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1c(F)cccc1Br
InChIInChI=1S/C16H15BrFNO/c17-13-9-4-10-14(18)15(13)16(20)19-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2,(H,19,20)
InChIKeySIAPZLQCRCJESC-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.95
Rot. Bonds5

About 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide

2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide (PubChem CID 115678122) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
PubChem CID115678122
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1c(F)cccc1Br
InChIInChI=1S/C16H15BrFNO/c17-13-9-4-10-14(18)15(13)16(20)19-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2,(H,19,20)
InChIKeySIAPZLQCRCJESC-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.95
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-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 115687343
1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one
CID 114885403
2-bromo-6-fluoro-N-(3-methylsulfinylpropyl)benzamide
CID 115679027
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 115679118
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 71977759
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide (CID 115678122) is 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide?
The InChIKey is SIAPZLQCRCJESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-13-9-4-10-14(18)15(13)16(20)19-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,5,8,11H2,(H,19,20).
What are the key properties of 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide?
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide has a molecular weight of 336.20 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 115678122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).