2-bromo-N-(2-phenoxyethyl)propanamide

C11H14BrNO2 — CID 82108617

IUPAC2-bromo-N-(2-phenoxyethyl)propanamide
SMILESCC(Br)C(=O)NCCOc1ccccc1
InChIInChI=1S/C11H14BrNO2/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKeyPMLYELKBCGOLDZ-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.97
Rot. Bonds5

About 2-bromo-N-(2-phenoxyethyl)propanamide

2-bromo-N-(2-phenoxyethyl)propanamide (PubChem CID 82108617) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-phenoxyethyl)propanamide
PubChem CID82108617
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-N-(2-phenoxyethyl)propanamide
SMILESCC(Br)C(=O)NCCOc1ccccc1
InChIInChI=1S/C11H14BrNO2/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKeyPMLYELKBCGOLDZ-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
2,3-diamino-N-(2-phenoxyethyl)propanamide
CID 59654100
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide
CID 116677486
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
2-(3-phenoxypropylamino)-N-propylpropanamide
CID 60695598

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2-bromo-N-(2-phenoxyethyl)propanamide (CID 82108617) is 2-bromo-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-phenoxyethyl)propanamide is CC(Br)C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-bromo-N-(2-phenoxyethyl)propanamide?
The InChIKey is PMLYELKBCGOLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-phenoxyethyl)propanamide?
2-bromo-N-(2-phenoxyethyl)propanamide has a molecular weight of 272.14 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 82108617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).