4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide

C13H18F2N2O2 — CID 60863199

IUPAC4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-9(17-8-4-7-12(16)18)10-5-2-3-6-11(10)19-13(14)15/h2-3,5-6,9,13,17H,4,7-8H2,1H3,(H2,16,18)
InChIKeyWRCIWNYIHSYXBC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.20
Rot. Bonds8

About 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide

4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide (PubChem CID 60863199) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
PubChem CID60863199
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-9(17-8-4-7-12(16)18)10-5-2-3-6-11(10)19-13(14)15/h2-3,5-6,9,13,17H,4,7-8H2,1H3,(H2,16,18)
InChIKeyWRCIWNYIHSYXBC-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutan-1-amine
CID 115721477
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
methyl 4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butanoate
CID 81388086
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide
CID 65236190
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide?
The IUPAC name of 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide (CID 60863199) is 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide.
What is the SMILES notation for 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide?
The canonical SMILES for 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide is CC(NCCCC(N)=O)c1ccccc1OC(F)F.
What is the InChIKey of 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide?
The InChIKey is WRCIWNYIHSYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9(17-8-4-7-12(16)18)10-5-2-3-6-11(10)19-13(14)15/h2-3,5-6,9,13,17H,4,7-8H2,1H3,(H2,16,18).
What are the key properties of 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide?
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide has a molecular weight of 272.30 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide is sourced from PubChem (CID 60863199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).