N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide

C15H19FN4O — CID 61402394

IUPACN-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
SMILESCCc1nccn1CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H19FN4O/c1-2-14-18-7-9-20(14)8-3-4-15(21)19-13-6-5-11(16)10-12(13)17/h5-7,9-10H,2-4,8,17H2,1H3,(H,19,21)
InChIKeyRFPACNQRKUBPSQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.59
Rot. Bonds6

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

N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide (PubChem CID 61402394) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
PubChem CID61402394
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
SMILESCCc1nccn1CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H19FN4O/c1-2-14-18-7-9-20(14)8-3-4-15(21)19-13-6-5-11(16)10-12(13)17/h5-7,9-10H,2-4,8,17H2,1H3,(H,19,21)
InChIKeyRFPACNQRKUBPSQ-UHFFFAOYSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.59
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-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402347
N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 61402367
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131931278
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 75433251
N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
CID 63205828
N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide
CID 63215697
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide (CID 61402394) is N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide is CCc1nccn1CCCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide?
The InChIKey is RFPACNQRKUBPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-2-14-18-7-9-20(14)8-3-4-15(21)19-13-6-5-11(16)10-12(13)17/h5-7,9-10H,2-4,8,17H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide?
N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide has a molecular weight of 290.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide is sourced from PubChem (CID 61402394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).