(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide

C17H18BrNO2 — CID 1225320

IUPAC(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO2/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyDSKMNQVYQXWPOT-CYBMUJFWSA-N
MW348.24 g/mol
LogP4.47
Rot. Bonds4

About (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide

(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 1225320) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID1225320
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO2/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyDSKMNQVYQXWPOT-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

(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
methyl 3-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548599
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
N-(3-bromophenyl)-2-(2-methoxyphenoxy)propanamide
CID 17252166

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide (CID 1225320) is (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is DSKMNQVYQXWPOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide?
(2R)-N-(3-bromophenyl)-2-(3,5-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-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 1225320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).