4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide

C12H16F2N2O2 — CID 63269722

IUPAC4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
SMILESCCNC(CCOc1cc(F)ccc1F)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-2-16-10(12(15)17)5-6-18-11-7-8(13)3-4-9(11)14/h3-4,7,10,16H,2,5-6H2,1H3,(H2,15,17)
InChIKeyBJVKRSSBBWGKQV-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.20
Rot. Bonds7

About 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide

4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide (PubChem CID 63269722) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
PubChem CID63269722
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
SMILESCCNC(CCOc1cc(F)ccc1F)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-2-16-10(12(15)17)5-6-18-11-7-8(13)3-4-9(11)14/h3-4,7,10,16H,2,5-6H2,1H3,(H2,15,17)
InChIKeyBJVKRSSBBWGKQV-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63269811
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butanoic acid
CID 63273100
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
CID 102983847
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide
CID 63269588
2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate
CID 102983852
2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide
CID 63040159
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide?
The IUPAC name of 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide (CID 63269722) is 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide.
What is the SMILES notation for 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide?
The canonical SMILES for 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide is CCNC(CCOc1cc(F)ccc1F)C(N)=O.
What is the InChIKey of 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide?
The InChIKey is BJVKRSSBBWGKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-2-16-10(12(15)17)5-6-18-11-7-8(13)3-4-9(11)14/h3-4,7,10,16H,2,5-6H2,1H3,(H2,15,17).
What are the key properties of 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide?
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide has a molecular weight of 258.27 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide is sourced from PubChem (CID 63269722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).