N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide

C12H16FNO2 — CID 110478459

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-9(2)12(15)14-7-8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyAAJCWRIGSMXHKG-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide

N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide (PubChem CID 110478459) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
PubChem CID110478459
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-9(2)12(15)14-7-8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyAAJCWRIGSMXHKG-UHFFFAOYSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.98
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

(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
CID 110482461
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]butanediamide
CID 110482734
2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18113570
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
N-[2-(2-fluorophenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 3107151
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
N-[2-[[ethylamino-[2-(2-fluorophenoxy)ethyl-methylamino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111419407
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide (CID 110478459) is N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide?
The InChIKey is AAJCWRIGSMXHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(2)12(15)14-7-8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide?
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide has a molecular weight of 225.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide is sourced from PubChem (CID 110478459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).