N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide

C14H17FN4O — CID 16784484

IUPACN-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H17FN4O/c1-10-17-6-8-19(10)7-2-3-14(20)18-13-9-11(16)4-5-12(13)15/h4-6,8-9H,2-3,7,16H2,1H3,(H,18,20)
InChIKeyYYNOIYRQEQHWQN-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.33
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide

N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 16784484) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
PubChem CID16784484
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H17FN4O/c1-10-17-6-8-19(10)7-2-3-14(20)18-13-9-11(16)4-5-12(13)15/h4-6,8-9H,2-3,7,16H2,1H3,(H,18,20)
InChIKeyYYNOIYRQEQHWQN-UHFFFAOYSA-N
XLogP2.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 43825670
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 62962290
N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788281
N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide
CID 18071064
N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402394
N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 43376146
N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
CID 56783099
N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62409558
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16785328
N-(5-amino-2-fluorophenyl)-4-tert-butylsulfinylbutanamide
CID 61304221
N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286836

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide (CID 16784484) is N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide is Cc1nccn1CCCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide?
The InChIKey is YYNOIYRQEQHWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10-17-6-8-19(10)7-2-3-14(20)18-13-9-11(16)4-5-12(13)15/h4-6,8-9H,2-3,7,16H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide?
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 276.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 16784484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).