2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide

C17H18BrNO2 — CID 114327448

IUPAC2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccccc2NC(=O)C(C)(C)Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)19-16(20)17(2,3)18/h4-11H,1-3H3,(H,19,20)
InChIKeyPLWRHSLYJVIYNI-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.90
Rot. Bonds4

About 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide

2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide (PubChem CID 114327448) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
PubChem CID114327448
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccccc2NC(=O)C(C)(C)Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)19-16(20)17(2,3)18/h4-11H,1-3H3,(H,19,20)
InChIKeyPLWRHSLYJVIYNI-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
CID 78906818
2-methoxy-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 75835937
1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
CID 110894141
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
CID 111105100
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
6-methyl-N-[2-(4-methylphenoxy)phenyl]pyridine-2-carboxamide
CID 38507776
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate
CID 41174435
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide (CID 114327448) is 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide is Cc1ccc(Oc2ccccc2NC(=O)C(C)(C)Br)cc1.
What is the InChIKey of 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide?
The InChIKey is PLWRHSLYJVIYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)19-16(20)17(2,3)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide?
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide has a molecular weight of 348.24 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide is sourced from PubChem (CID 114327448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).