(2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide

C17H25Br2NO2 — CID 40736866

IUPAC(2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide
SMILESCCCCC(CC)CNC(=O)[C@H](C)Oc1ccc(Br)cc1Br
InChIInChI=1S/C17H25Br2NO2/c1-4-6-7-13(5-2)11-20-17(21)12(3)22-16-9-8-14(18)10-15(16)19/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,21)/t12-,13?/m0/s1
InChIKeyMOADAZDBPRCZQF-UEWDXFNNSA-N
MW435.20 g/mol
LogP5.31
Rot. Bonds9

About (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide

(2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide (PubChem CID 40736866) has the molecular formula C17H25Br2NO2 and a molecular weight of 435.20 g/mol. Its IUPAC name is (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide
PubChem CID40736866
Molecular FormulaC17H25Br2NO2
Molecular Weight435.20 g/mol
Exact Mass433.03
IUPAC Name(2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide
SMILESCCCCC(CC)CNC(=O)[C@H](C)Oc1ccc(Br)cc1Br
InChIInChI=1S/C17H25Br2NO2/c1-4-6-7-13(5-2)11-20-17(21)12(3)22-16-9-8-14(18)10-15(16)19/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,21)/t12-,13?/m0/s1
InChIKeyMOADAZDBPRCZQF-UEWDXFNNSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.20
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)-2-(2-ethylphenoxy)propanamide
CID 133235259
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100546024
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
CID 55068252
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentylpropanamide
CID 102948921
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide (CID 40736866) is (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide is CCCCC(CC)CNC(=O)[C@H](C)Oc1ccc(Br)cc1Br.
What is the InChIKey of (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide?
The InChIKey is MOADAZDBPRCZQF-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H25Br2NO2/c1-4-6-7-13(5-2)11-20-17(21)12(3)22-16-9-8-14(18)10-15(16)19/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,21)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide?
(2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide has a molecular weight of 435.20 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide is sourced from PubChem (CID 40736866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).