(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide

C15H13BrFNO2 — CID 7818352

IUPAC(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO2/c1-10(20-14-4-2-3-11(16)9-14)15(19)18-13-7-5-12(17)6-8-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyPWGBXWSLCIEHNU-JTQLQIEISA-N
MW338.18 g/mol
LogP3.99
Rot. Bonds4

About (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide

(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide (PubChem CID 7818352) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
PubChem CID7818352
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO2/c1-10(20-14-4-2-3-11(16)9-14)15(19)18-13-7-5-12(17)6-8-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyPWGBXWSLCIEHNU-JTQLQIEISA-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

(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
ethyl 3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78659294
(2R)-N-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652623
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide (CID 7818352) is (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide is C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide?
The InChIKey is PWGBXWSLCIEHNU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-10(20-14-4-2-3-11(16)9-14)15(19)18-13-7-5-12(17)6-8-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide?
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)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 (2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 7818352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).