2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide

C12H16BrNO2 — CID 107904117

IUPAC2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Br)c(C)c1
InChIInChI=1S/C12H16BrNO2/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKeyOULYYANEWKVHAO-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.12
Rot. Bonds4

About 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide

2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide (PubChem CID 107904117) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
PubChem CID107904117
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Br)c(C)c1
InChIInChI=1S/C12H16BrNO2/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKeyOULYYANEWKVHAO-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.12
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

N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453148
N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide
CID 86827079
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
N-(4-ethoxy-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63128389

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide?
The IUPAC name of 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide (CID 107904117) is 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide?
The canonical SMILES for 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide is CCOc1ccc(NC(=O)C(C)Br)c(C)c1.
What is the InChIKey of 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide?
The InChIKey is OULYYANEWKVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-4-16-10-5-6-11(8(2)7-10)14-12(15)9(3)13/h5-7,9H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide?
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide has a molecular weight of 286.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 107904117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).