(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide

C19H20BrNO4 — CID 8555502

IUPAC(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1cc(Br)c(C=O)cc1O[C@@H](C)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C19H20BrNO4/c1-11-5-6-16(12(2)7-11)21-19(23)13(3)25-18-8-14(10-22)15(20)9-17(18)24-4/h5-10,13H,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyNZBCMCWMKIDCTJ-ZDUSSCGKSA-N
MW406.28 g/mol
LogP4.29
Rot. Bonds6

About (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide

(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 8555502) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide
PubChem CID8555502
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1cc(Br)c(C=O)cc1O[C@@H](C)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C19H20BrNO4/c1-11-5-6-16(12(2)7-11)21-19(23)13(3)25-18-8-14(10-22)15(20)9-17(18)24-4/h5-10,13H,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyNZBCMCWMKIDCTJ-ZDUSSCGKSA-N
XLogP4.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8555603
methyl (2R)-2-(5-bromo-4-formyl-2-methoxyphenoxy)propanoate
CID 42573582
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2S)-N-(2,4-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8558864
(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947249
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 1410120
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46630104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide (CID 8555502) is (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide is COc1cc(Br)c(C=O)cc1O[C@@H](C)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is NZBCMCWMKIDCTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-11-5-6-16(12(2)7-11)21-19(23)13(3)25-18-8-14(10-22)15(20)9-17(18)24-4/h5-10,13H,1-4H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide?
(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 406.28 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 8555502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).