N-[2-(2,4-difluorophenoxy)ethyl]propanamide

C11H13F2NO2 — CID 113102310

IUPACN-[2-(2,4-difluorophenoxy)ethyl]propanamide
SMILESCCC(=O)NCCOc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-2-11(15)14-5-6-16-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyVVDQIZJDQMSXKF-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(2,4-difluorophenoxy)ethyl]propanamide

N-[2-(2,4-difluorophenoxy)ethyl]propanamide (PubChem CID 113102310) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)ethyl]propanamide
PubChem CID113102310
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC NameN-[2-(2,4-difluorophenoxy)ethyl]propanamide
SMILESCCC(=O)NCCOc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-2-11(15)14-5-6-16-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyVVDQIZJDQMSXKF-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
CID 113102340
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
1-[2-(2,4-difluorophenoxy)ethyl]-2-methyl-3-propylguanidine
CID 111782778
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112976199
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976270
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]propanamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]propanamide (CID 113102310) is N-[2-(2,4-difluorophenoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)ethyl]propanamide is CCC(=O)NCCOc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)ethyl]propanamide?
The InChIKey is VVDQIZJDQMSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-2-11(15)14-5-6-16-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-[2-(2,4-difluorophenoxy)ethyl]propanamide?
N-[2-(2,4-difluorophenoxy)ethyl]propanamide has a molecular weight of 229.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 113102310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).