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

C13H16F4N2O3 — CID 119734504

IUPACN-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C13H16F4N2O3/c1-18-6-2-3-11(20)19-9-5-4-8(21-12(14)15)7-10(9)22-13(16)17/h4-5,7,12-13,18H,2-3,6H2,1H3,(H,19,20)
InChIKeyHFYDFZPFICIZGC-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.83
Rot. Bonds9

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

N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide (PubChem CID 119734504) has the molecular formula C13H16F4N2O3 and a molecular weight of 324.27 g/mol. Its IUPAC name is N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide
PubChem CID119734504
Molecular FormulaC13H16F4N2O3
Molecular Weight324.27 g/mol
Exact Mass324.11
IUPAC NameN-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C13H16F4N2O3/c1-18-6-2-3-11(20)19-9-5-4-8(21-12(14)15)7-10(9)22-13(16)17/h4-5,7,12-13,18H,2-3,6H2,1H3,(H,19,20)
InChIKeyHFYDFZPFICIZGC-UHFFFAOYSA-N
XLogP2.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid
CID 60940435
4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
CID 63892048
4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
CID 119792496
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
CID 7941418
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
3-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 63188229
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide (CID 119734504) is N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide?
The InChIKey is HFYDFZPFICIZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O3/c1-18-6-2-3-11(20)19-9-5-4-8(21-12(14)15)7-10(9)22-13(16)17/h4-5,7,12-13,18H,2-3,6H2,1H3,(H,19,20).
What are the key properties of N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide?
N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide has a molecular weight of 324.27 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119734504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).