3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide

C15H13BrFNO2 — CID 26579539

IUPAC3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H13BrFNO2/c16-11-3-1-6-14(9-11)20-8-7-15(19)18-13-5-2-4-12(17)10-13/h1-6,9-10H,7-8H2,(H,18,19)
InChIKeyZTYNHSLMHPFBEL-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.00
Rot. Bonds5

About 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide

3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide (PubChem CID 26579539) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
PubChem CID26579539
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H13BrFNO2/c16-11-3-1-6-14(9-11)20-8-7-15(19)18-13-5-2-4-12(17)10-13/h1-6,9-10H,7-8H2,(H,18,19)
InChIKeyZTYNHSLMHPFBEL-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86931919
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26687166
3-(3-fluorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794121
6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide
CID 118730983
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide
CID 7965665
3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide (CID 26579539) is 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide is O=C(CCOc1cccc(Br)c1)Nc1cccc(F)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide?
The InChIKey is ZTYNHSLMHPFBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-11-3-1-6-14(9-11)20-8-7-15(19)18-13-5-2-4-12(17)10-13/h1-6,9-10H,7-8H2,(H,18,19).
What are the key properties of 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide?
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide has a molecular weight of 338.18 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 26579539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).