3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide

C13H18F2N2O2 — CID 115676401

IUPAC3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide
SMILESCC(CC(N)=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-8(6-12(16)18)17-9(2)10-4-3-5-11(7-10)19-13(14)15/h3-5,7-9,13,17H,6H2,1-2H3,(H2,16,18)
InChIKeyBUJSEOQXNATZPS-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.20
Rot. Bonds7

About 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide

3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide (PubChem CID 115676401) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide.

Molecular Properties

Compound Name3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide
PubChem CID115676401
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide
SMILESCC(CC(N)=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-8(6-12(16)18)17-9(2)10-4-3-5-11(7-10)19-13(14)15/h3-5,7-9,13,17H,6H2,1-2H3,(H2,16,18)
InChIKeyBUJSEOQXNATZPS-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115721752
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352472
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473448
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-3-yn-2-amine
CID 114415071
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-3-en-2-amine
CID 115727882
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
2-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476972
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide?
The IUPAC name of 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide (CID 115676401) is 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide.
What is the SMILES notation for 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide?
The canonical SMILES for 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide is CC(CC(N)=O)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide?
The InChIKey is BUJSEOQXNATZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(6-12(16)18)17-9(2)10-4-3-5-11(7-10)19-13(14)15/h3-5,7-9,13,17H,6H2,1-2H3,(H2,16,18).
What are the key properties of 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide?
3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide has a molecular weight of 272.29 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide is sourced from PubChem (CID 115676401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).