(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide

C17H17BrN2O3 — CID 7731961

IUPAC(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11(23-16-9-3-13(18)4-10-16)17(22)20-15-7-5-14(6-8-15)19-12(2)21/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyFOXMYWXRZCKVOB-LLVKDONJSA-N
MW377.24 g/mol
LogP3.81
Rot. Bonds5

About (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide

(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide (PubChem CID 7731961) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
PubChem CID7731961
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11(23-16-9-3-13(18)4-10-16)17(22)20-15-7-5-14(6-8-15)19-12(2)21/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyFOXMYWXRZCKVOB-LLVKDONJSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide (CID 7731961) is (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide?
The InChIKey is FOXMYWXRZCKVOB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11(23-16-9-3-13(18)4-10-16)17(22)20-15-7-5-14(6-8-15)19-12(2)21/h3-11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide?
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide has a molecular weight of 377.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide is sourced from PubChem (CID 7731961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).