N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide

C12H17FN2O — CID 60841509

IUPACN-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-9-5-6-10(8-11(9)13)15-12(16)4-3-7-14-2/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyXDQBAHCKUGAQPX-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.07
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide

N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide (PubChem CID 60841509) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
PubChem CID60841509
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-9-5-6-10(8-11(9)13)15-12(16)4-3-7-14-2/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyXDQBAHCKUGAQPX-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.07
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-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
2-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 113342153
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(methylamino)butanamide;dihydrochloride
CID 119860243
N-[4-(3-fluoro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9427529
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide (CID 60841509) is N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide?
The InChIKey is XDQBAHCKUGAQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-5-6-10(8-11(9)13)15-12(16)4-3-7-14-2/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide?
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide has a molecular weight of 224.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60841509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).