(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

C17H17BrFNO2 — CID 92538260

IUPAC(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H17BrFNO2/c1-11(13-3-7-15(19)8-4-13)20-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-12H,1-2H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyDTXYMRYBDCJQPW-VXGBXAGGSA-N
MW366.23 g/mol
LogP4.23
Rot. Bonds5

About (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 92538260) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID92538260
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H17BrFNO2/c1-11(13-3-7-15(19)8-4-13)20-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-12H,1-2H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyDTXYMRYBDCJQPW-VXGBXAGGSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7786780
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8580031
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 99132186
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
(2S)-2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579899
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579894
ethyl 4-[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]oxybenzoate
CID 7471646

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (CID 92538260) is (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is DTXYMRYBDCJQPW-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-11(13-3-7-15(19)8-4-13)20-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-12H,1-2H3,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 366.23 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 92538260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).