(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide

C17H18BrNO2 — CID 891226

IUPAC(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1C
InChIInChI=1S/C17H18BrNO2/c1-11-7-6-10-16(12(11)2)21-13(3)17(20)19-15-9-5-4-8-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyPLEJRJJRWGEWBP-ZDUSSCGKSA-N
MW348.24 g/mol
LogP4.47
Rot. Bonds4

About (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide

(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 891226) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
PubChem CID891226
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1C
InChIInChI=1S/C17H18BrNO2/c1-11-7-6-10-16(12(11)2)21-13(3)17(20)19-15-9-5-4-8-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyPLEJRJJRWGEWBP-ZDUSSCGKSA-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

(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 16790293
2-[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38008079
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide (CID 891226) is (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1C.
What is the InChIKey of (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is PLEJRJJRWGEWBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-7-6-10-16(12(11)2)21-13(3)17(20)19-15-9-5-4-8-14(15)18/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide?
(2S)-N-(2-bromophenyl)-2-(2,3-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 (2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 891226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).