N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide

C14H17FN4O2 — CID 80579114

IUPACN-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
SMILESCCCn1ccn(CC(=O)Nc2cc(N)ccc2F)c1=O
InChIInChI=1S/C14H17FN4O2/c1-2-5-18-6-7-19(14(18)21)9-13(20)17-12-8-10(16)3-4-11(12)15/h3-4,6-8H,2,5,9,16H2,1H3,(H,17,20)
InChIKeyKFPYCXPIEVZXFM-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.42
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide

N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide (PubChem CID 80579114) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
PubChem CID80579114
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
SMILESCCCn1ccn(CC(=O)Nc2cc(N)ccc2F)c1=O
InChIInChI=1S/C14H17FN4O2/c1-2-5-18-6-7-19(14(18)21)9-13(20)17-12-8-10(16)3-4-11(12)15/h3-4,6-8H,2,5,9,16H2,1H3,(H,17,20)
InChIKeyKFPYCXPIEVZXFM-UHFFFAOYSA-N
XLogP1.42
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624762
N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624759
N-(5-amino-2-fluorophenyl)-2-(2,6-dioxopiperidin-1-yl)acetamide
CID 43447518
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 55237811
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 62962290
N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
CID 103805299
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(5-amino-2-fluorophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 61238432
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide (CID 80579114) is N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide is CCCn1ccn(CC(=O)Nc2cc(N)ccc2F)c1=O.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide?
The InChIKey is KFPYCXPIEVZXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-2-5-18-6-7-19(14(18)21)9-13(20)17-12-8-10(16)3-4-11(12)15/h3-4,6-8H,2,5,9,16H2,1H3,(H,17,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide?
N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide has a molecular weight of 292.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide is sourced from PubChem (CID 80579114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).