4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide

C16H14BrF2NO2 — CID 26360943

IUPAC4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H14BrF2NO2/c17-11-3-6-13(7-4-11)22-9-1-2-16(21)20-15-10-12(18)5-8-14(15)19/h3-8,10H,1-2,9H2,(H,20,21)
InChIKeyXTXPZKJOOBTQTB-UHFFFAOYSA-N
MW370.19 g/mol
LogP4.53
Rot. Bonds6

About 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide

4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide (PubChem CID 26360943) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
PubChem CID26360943
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H14BrF2NO2/c17-11-3-6-13(7-4-11)22-9-1-2-16(21)20-15-10-12(18)5-8-14(15)19/h3-8,10H,1-2,9H2,(H,20,21)
InChIKeyXTXPZKJOOBTQTB-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 54.53
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

4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
CID 2526499
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
CID 3674961
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
CID 119281028
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide (CID 26360943) is 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide is O=C(CCCOc1ccc(Br)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide?
The InChIKey is XTXPZKJOOBTQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c17-11-3-6-13(7-4-11)22-9-1-2-16(21)20-15-10-12(18)5-8-14(15)19/h3-8,10H,1-2,9H2,(H,20,21).
What are the key properties of 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide?
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide has a molecular weight of 370.19 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide is sourced from PubChem (CID 26360943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).