N-(3,4-difluorophenyl)-4-(methylamino)butanamide

C11H14F2N2O — CID 60843097

IUPACN-(3,4-difluorophenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c1-14-6-2-3-11(16)15-8-4-5-9(12)10(13)7-8/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyFLIQSPPKXJKDSG-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.90
Rot. Bonds5

About N-(3,4-difluorophenyl)-4-(methylamino)butanamide

N-(3,4-difluorophenyl)-4-(methylamino)butanamide (PubChem CID 60843097) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(methylamino)butanamide
PubChem CID60843097
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-(3,4-difluorophenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c1-14-6-2-3-11(16)15-8-4-5-9(12)10(13)7-8/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyFLIQSPPKXJKDSG-UHFFFAOYSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
2-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 113342153
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
3-(butylamino)-N-(3,4-difluorophenyl)propanamide
CID 109012546
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(3,4-difluorophenyl)propanamide
CID 4285365

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(methylamino)butanamide (CID 60843097) is N-(3,4-difluorophenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(methylamino)butanamide?
The InChIKey is FLIQSPPKXJKDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-14-6-2-3-11(16)15-8-4-5-9(12)10(13)7-8/h4-5,7,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)-4-(methylamino)butanamide?
N-(3,4-difluorophenyl)-4-(methylamino)butanamide has a molecular weight of 228.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60843097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).