2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide

C12H15BrFNO2 — CID 81496333

IUPAC2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNO2/c1-7(2)15-12(16)8(3)17-11-6-9(14)4-5-10(11)13/h4-8H,1-3H3,(H,15,16)
InChIKeyWQBPBOQRMOMFNZ-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide

2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide (PubChem CID 81496333) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide
PubChem CID81496333
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNO2/c1-7(2)15-12(16)8(3)17-11-6-9(14)4-5-10(11)13/h4-8H,1-3H3,(H,15,16)
InChIKeyWQBPBOQRMOMFNZ-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
CID 103338122
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
CID 3999391
(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7707079
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide (CID 81496333) is 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is WQBPBOQRMOMFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-7(2)15-12(16)8(3)17-11-6-9(14)4-5-10(11)13/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide?
2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 304.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 81496333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).