(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide

C13H16FNO2 — CID 40747122

IUPAC(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)[C@@H](CC)Oc1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-3-9-15-13(16)11(4-2)17-12-8-6-5-7-10(12)14/h3,5-8,11H,1,4,9H2,2H3,(H,15,16)/t11-/m1/s1
InChIKeyBQXNYFDGNGNDMV-LLVKDONJSA-N
MW237.27 g/mol
LogP2.29
Rot. Bonds6

About (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide

(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide (PubChem CID 40747122) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
PubChem CID40747122
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)[C@@H](CC)Oc1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-3-9-15-13(16)11(4-2)17-12-8-6-5-7-10(12)14/h3,5-8,11H,1,4,9H2,2H3,(H,15,16)/t11-/m1/s1
InChIKeyBQXNYFDGNGNDMV-LLVKDONJSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
N-(2-amino-2-ethylbutyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119644039
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide (CID 40747122) is (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide is C=CCNC(=O)[C@@H](CC)Oc1ccccc1F.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide?
The InChIKey is BQXNYFDGNGNDMV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-9-15-13(16)11(4-2)17-12-8-6-5-7-10(12)14/h3,5-8,11H,1,4,9H2,2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide?
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide has a molecular weight of 237.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide is sourced from PubChem (CID 40747122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).