2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide

C14H19BrFNO2 — CID 81495069

IUPAC2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFNO2/c1-3-4-5-8-17-14(18)10(2)19-13-9-11(16)6-7-12(13)15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyAIMXHQXTXYFJQN-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.66
Rot. Bonds7

About 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide

2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide (PubChem CID 81495069) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
PubChem CID81495069
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFNO2/c1-3-4-5-8-17-14(18)10(2)19-13-9-11(16)6-7-12(13)15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyAIMXHQXTXYFJQN-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide
CID 81496333
2-(5-bromo-2,3-difluorophenoxy)-N-pentylpropanamide
CID 107098793
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
CID 103338122
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentylpropanamide
CID 102948921
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 43113670
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide?
The IUPAC name of 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide (CID 81495069) is 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide.
What is the SMILES notation for 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide?
The canonical SMILES for 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide?
The InChIKey is AIMXHQXTXYFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-3-4-5-8-17-14(18)10(2)19-13-9-11(16)6-7-12(13)15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide?
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide has a molecular weight of 332.21 g/mol, XLogP of 3.66, 7 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-pentylpropanamide is sourced from PubChem (CID 81495069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).