2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide

C14H19BrFNO2 — CID 43112360

IUPAC2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C14H19BrFNO2/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(16)8-12(13)15/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyLZISVSLZMLKGBK-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.66
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide

2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide (PubChem CID 43112360) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
PubChem CID43112360
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C14H19BrFNO2/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(16)8-12(13)15/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyLZISVSLZMLKGBK-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107014203
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119570150
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide (CID 43112360) is 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide?
The InChIKey is LZISVSLZMLKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(16)8-12(13)15/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide?
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide has a molecular weight of 332.21 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43112360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).