N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide

C16H24FN3O — CID 63215697

IUPACN-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide
SMILESCC1(C)CCCN1CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C16H24FN3O/c1-16(2)8-4-10-20(16)9-3-5-15(21)19-14-7-6-12(17)11-13(14)18/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,19,21)
InChIKeyBZRGZOWJXNUERX-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.00
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide

N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide (PubChem CID 63215697) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide
PubChem CID63215697
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide
SMILESCC1(C)CCCN1CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C16H24FN3O/c1-16(2)8-4-10-20(16)9-3-5-15(21)19-14-7-6-12(17)11-13(14)18/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,19,21)
InChIKeyBZRGZOWJXNUERX-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 55162900
N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide
CID 79468585
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 43619956
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124962
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402394
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide (CID 63215697) is N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide is CC1(C)CCCN1CCCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide?
The InChIKey is BZRGZOWJXNUERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-16(2)8-4-10-20(16)9-3-5-15(21)19-14-7-6-12(17)11-13(14)18/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide?
N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide has a molecular weight of 293.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 63215697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).