2-(2-fluorophenoxy)-N-propan-2-ylbutanamide

C13H18FNO2 — CID 53286261

IUPAC2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
SMILESCCC(Oc1ccccc1F)C(=O)NC(C)C
InChIInChI=1S/C13H18FNO2/c1-4-11(13(16)15-9(2)3)17-12-8-6-5-7-10(12)14/h5-9,11H,4H2,1-3H3,(H,15,16)
InChIKeyWDZYHCPVRWFNLN-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.51
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide

2-(2-fluorophenoxy)-N-propan-2-ylbutanamide (PubChem CID 53286261) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
PubChem CID53286261
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
SMILESCCC(Oc1ccccc1F)C(=O)NC(C)C
InChIInChI=1S/C13H18FNO2/c1-4-11(13(16)15-9(2)3)17-12-8-6-5-7-10(12)14/h5-9,11H,4H2,1-3H3,(H,15,16)
InChIKeyWDZYHCPVRWFNLN-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119668887
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide (CID 53286261) is 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide is CCC(Oc1ccccc1F)C(=O)NC(C)C.
What is the InChIKey of 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide?
The InChIKey is WDZYHCPVRWFNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-11(13(16)15-9(2)3)17-12-8-6-5-7-10(12)14/h5-9,11H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide?
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide has a molecular weight of 239.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-propan-2-ylbutanamide is sourced from PubChem (CID 53286261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).