(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide

C18H20BrNO2 — CID 9173242

IUPAC(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1C
InChIInChI=1S/C18H20BrNO2/c1-11-5-7-16(10-12(11)2)22-14(4)18(21)20-15-6-8-17(19)13(3)9-15/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyCBHHOULMPONRBN-AWEZNQCLSA-N
MW362.27 g/mol
LogP4.78
Rot. Bonds4

About (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide

(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 9173242) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
PubChem CID9173242
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1C
InChIInChI=1S/C18H20BrNO2/c1-11-5-7-16(10-12(11)2)22-14(4)18(21)20-15-6-8-17(19)13(3)9-15/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyCBHHOULMPONRBN-AWEZNQCLSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)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)-N-(4-bromo-3-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 9172923
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
(2R)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647263
(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647264
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 11839379

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide (CID 9173242) is (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1C.
What is the InChIKey of (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is CBHHOULMPONRBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-11-5-7-16(10-12(11)2)22-14(4)18(21)20-15-6-8-17(19)13(3)9-15/h5-10,14H,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 362.27 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 9173242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).