2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide

C11H13BrFNO2 — CID 177335006

IUPAC2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide
SMILESCNC(=O)COCCc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-14-11(15)7-16-5-4-8-6-9(13)2-3-10(8)12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeySSODDWHJQGHJAA-UHFFFAOYSA-N
MW290.13 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide

2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide (PubChem CID 177335006) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide
PubChem CID177335006
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide
SMILESCNC(=O)COCCc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-14-11(15)7-16-5-4-8-6-9(13)2-3-10(8)12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeySSODDWHJQGHJAA-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide 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-[3-(2-bromo-5-fluorophenyl)propanoylamino]propanoic acid
CID 120526889
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine
CID 117339724
3-(2-bromo-5-fluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide
CID 86798584
1-(2-bromo-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105090125
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide
CID 86788556
methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249
3-(2-bromo-5-fluorophenyl)propanal
CID 53434280
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide (CID 177335006) is 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide is CNC(=O)COCCc1cc(F)ccc1Br.
What is the InChIKey of 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide?
The InChIKey is SSODDWHJQGHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-14-11(15)7-16-5-4-8-6-9(13)2-3-10(8)12/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide?
2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide has a molecular weight of 290.13 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide is sourced from PubChem (CID 177335006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).