N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide

C15H13BrFNO2 — CID 47119298

IUPACN-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-10(20-14-7-3-5-12(17)9-14)15(19)18-13-6-2-4-11(16)8-13/h2-10H,1H3,(H,18,19)
InChIKeyXPIKJMXYBQBZDY-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.99
Rot. Bonds4

About N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide

N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 47119298) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
PubChem CID47119298
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-10(20-14-7-3-5-12(17)9-14)15(19)18-13-6-2-4-11(16)8-13/h2-10H,1H3,(H,18,19)
InChIKeyXPIKJMXYBQBZDY-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 1225320
methyl 3-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548599
(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide (CID 47119298) is N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide is CC(Oc1cccc(F)c1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is XPIKJMXYBQBZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-10(20-14-7-3-5-12(17)9-14)15(19)18-13-6-2-4-11(16)8-13/h2-10H,1H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide?
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 338.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 47119298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).