N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide

C14H17BrFNO2 — CID 113255462

IUPACN-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H17BrFNO2/c15-12-6-4-10(16)9-13(12)17-14(18)7-5-11-3-1-2-8-19-11/h4,6,9,11H,1-3,5,7-8H2,(H,17,18)
InChIKeyYLEQCBHCFBQVSH-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.88
Rot. Bonds4

About N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide

N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide (PubChem CID 113255462) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
PubChem CID113255462
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC NameN-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H17BrFNO2/c15-12-6-4-10(16)9-13(12)17-14(18)7-5-11-3-1-2-8-19-11/h4,6,9,11H,1-3,5,7-8H2,(H,17,18)
InChIKeyYLEQCBHCFBQVSH-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
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N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 82017155
2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975818
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide (CID 113255462) is N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is YLEQCBHCFBQVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-12-6-4-10(16)9-13(12)17-14(18)7-5-11-3-1-2-8-19-11/h4,6,9,11H,1-3,5,7-8H2,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide?
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 330.20 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 113255462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).