(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide

C17H18BrNO3 — CID 1177379

IUPAC(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1
InChIInChI=1S/C17H18BrNO3/c1-3-21-16-10-5-4-9-15(16)19-17(20)12(2)22-14-8-6-7-13(18)11-14/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyNSZYOQFORVICMU-GFCCVEGCSA-N
MW364.24 g/mol
LogP4.25
Rot. Bonds6

About (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide

(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide (PubChem CID 1177379) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
PubChem CID1177379
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1
InChIInChI=1S/C17H18BrNO3/c1-3-21-16-10-5-4-9-15(16)19-17(20)12(2)22-14-8-6-7-13(18)11-14/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyNSZYOQFORVICMU-GFCCVEGCSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 3670954
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
methyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]benzoate
CID 1177887
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 1225337
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide (CID 1177379) is (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is NSZYOQFORVICMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-3-21-16-10-5-4-9-15(16)19-17(20)12(2)22-14-8-6-7-13(18)11-14/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide?
(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 364.24 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 1177379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).