(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

C17H17BrFNO2 — CID 9391636

IUPAC(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17BrFNO2/c1-12(22-16-8-4-14(18)5-9-16)17(21)20-11-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyQOHRENLKCHPGAA-LBPRGKRZSA-N
MW366.23 g/mol
LogP3.71
Rot. Bonds6

About (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 9391636) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID9391636
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17BrFNO2/c1-12(22-16-8-4-14(18)5-9-16)17(21)20-11-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyQOHRENLKCHPGAA-LBPRGKRZSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 9391636) is (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is C[C@H](Oc1ccc(Br)cc1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is QOHRENLKCHPGAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-12(22-16-8-4-14(18)5-9-16)17(21)20-11-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 366.23 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 9391636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).