2-amino-4-(2,4-difluorophenoxy)butanamide

C10H12F2N2O2 — CID 63038942

IUPAC2-amino-4-(2,4-difluorophenoxy)butanamide
SMILESNC(=O)C(N)CCOc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O2/c11-6-1-2-9(7(12)5-6)16-4-3-8(13)10(14)15/h1-2,5,8H,3-4,13H2,(H2,14,15)
InChIKeyJRNPEVORRNBGSX-UHFFFAOYSA-N
MW230.21 g/mol
LogP0.55
Rot. Bonds5

About 2-amino-4-(2,4-difluorophenoxy)butanamide

2-amino-4-(2,4-difluorophenoxy)butanamide (PubChem CID 63038942) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-amino-4-(2,4-difluorophenoxy)butanamide.

Molecular Properties

Compound Name2-amino-4-(2,4-difluorophenoxy)butanamide
PubChem CID63038942
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-amino-4-(2,4-difluorophenoxy)butanamide
SMILESNC(=O)C(N)CCOc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O2/c11-6-1-2-9(7(12)5-6)16-4-3-8(13)10(14)15/h1-2,5,8H,3-4,13H2,(H2,14,15)
InChIKeyJRNPEVORRNBGSX-UHFFFAOYSA-N
XLogP0.55
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854
CID 89282398
CID 89282398
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-difluorophenoxy)butanamide?
The IUPAC name of 2-amino-4-(2,4-difluorophenoxy)butanamide (CID 63038942) is 2-amino-4-(2,4-difluorophenoxy)butanamide.
What is the SMILES notation for 2-amino-4-(2,4-difluorophenoxy)butanamide?
The canonical SMILES for 2-amino-4-(2,4-difluorophenoxy)butanamide is NC(=O)C(N)CCOc1ccc(F)cc1F.
What is the InChIKey of 2-amino-4-(2,4-difluorophenoxy)butanamide?
The InChIKey is JRNPEVORRNBGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c11-6-1-2-9(7(12)5-6)16-4-3-8(13)10(14)15/h1-2,5,8H,3-4,13H2,(H2,14,15).
What are the key properties of 2-amino-4-(2,4-difluorophenoxy)butanamide?
2-amino-4-(2,4-difluorophenoxy)butanamide has a molecular weight of 230.21 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-difluorophenoxy)butanamide is sourced from PubChem (CID 63038942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).