N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide

C13H18F2N2O2 — CID 119814465

IUPACN-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccccc1OCC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-16-8-4-7-13(18)17-10-5-2-3-6-11(10)19-9-12(14)15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,17,18)
InChIKeyZWLKNFHIPNWAFB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.27
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide

N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide (PubChem CID 119814465) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
PubChem CID119814465
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC NameN-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccccc1OCC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-16-8-4-7-13(18)17-10-5-2-3-6-11(10)19-9-12(14)15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,17,18)
InChIKeyZWLKNFHIPNWAFB-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 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 ≤ 52.27
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-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]butanoic acid
CID 122086894
4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
CID 119792496
4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 79203312

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide (CID 119814465) is N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccccc1OCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide?
The InChIKey is ZWLKNFHIPNWAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-16-8-4-7-13(18)17-10-5-2-3-6-11(10)19-9-12(14)15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide?
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide has a molecular weight of 272.30 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119814465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).