(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide

C17H18BrNO2 — CID 837584

IUPAC(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C17H18BrNO2/c1-11-8-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-4-6-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyRJTLOEJUHXQPFY-CYBMUJFWSA-N
MW348.24 g/mol
LogP4.47
Rot. Bonds4

About (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide

(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 837584) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
PubChem CID837584
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C17H18BrNO2/c1-11-8-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-4-6-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyRJTLOEJUHXQPFY-CYBMUJFWSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633931
3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
CID 95706566
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide (CID 837584) is (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)c(C)c1.
What is the InChIKey of (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is RJTLOEJUHXQPFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-8-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-4-6-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide?
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 348.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 837584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).