2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide

C14H16BrF2NO2 — CID 90825791

IUPAC2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide
SMILESCC(F)(C(=O)NC1CCOCC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H16BrF2NO2/c1-14(17,11-3-2-9(15)8-12(11)16)13(19)18-10-4-6-20-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,18,19)
InChIKeyLGPFBDNQGFREKO-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide

2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide (PubChem CID 90825791) has the molecular formula C14H16BrF2NO2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide
PubChem CID90825791
Molecular FormulaC14H16BrF2NO2
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide
SMILESCC(F)(C(=O)NC1CCOCC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H16BrF2NO2/c1-14(17,11-3-2-9(15)8-12(11)16)13(19)18-10-4-6-20-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,18,19)
InChIKeyLGPFBDNQGFREKO-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2225812
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
2-(4-bromophenyl)-N-(propan-2-yl)acetamide
CID 669886
2-(4-bromophenyl)-N-(3-ethoxypropyl)acetamide
CID 2932428
N-[2-(4-bromo-2-fluorophenyl)ethyl]-2-(oxolan-2-yl)acetamide
CID 56783743
2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide
CID 24878354
N-[(2S)-2-(4-bromo-3-fluorophenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine
CID 58458197
2-(4-Bromo-3-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one
CID 58458217
N-[2-(4-bromo-3-fluorophenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine
CID 58458299
(2S)-2-(4-bromo-3-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one
CID 59670742
(2S)-2-(4-bromo-2-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one
CID 59670960

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide (CID 90825791) is 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide is CC(F)(C(=O)NC1CCOCC1)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide?
The InChIKey is LGPFBDNQGFREKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2NO2/c1-14(17,11-3-2-9(15)8-12(11)16)13(19)18-10-4-6-20-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide?
2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide has a molecular weight of 348.19 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 90825791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).