N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide

C14H17FN4O — CID 62349835

IUPACN-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide
SMILESCc1ncn(C(C)C(=O)Nc2cc(N)ccc2F)c1C
InChIInChI=1S/C14H17FN4O/c1-8-9(2)19(7-17-8)10(3)14(20)18-13-6-11(16)4-5-12(13)15/h4-7,10H,16H2,1-3H3,(H,18,20)
InChIKeyWZZXINLPPCYGTF-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.42
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide (PubChem CID 62349835) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide
PubChem CID62349835
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide
SMILESCc1ncn(C(C)C(=O)Nc2cc(N)ccc2F)c1C
InChIInChI=1S/C14H17FN4O/c1-8-9(2)19(7-17-8)10(3)14(20)18-13-6-11(16)4-5-12(13)15/h4-7,10H,16H2,1-3H3,(H,18,20)
InChIKeyWZZXINLPPCYGTF-UHFFFAOYSA-N
XLogP2.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.42
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

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methyl 2-(4,5-dimethylimidazol-1-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide (CID 62349835) is N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide is Cc1ncn(C(C)C(=O)Nc2cc(N)ccc2F)c1C.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide?
The InChIKey is WZZXINLPPCYGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8-9(2)19(7-17-8)10(3)14(20)18-13-6-11(16)4-5-12(13)15/h4-7,10H,16H2,1-3H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide has a molecular weight of 276.31 g/mol, XLogP of 2.42, 3 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)-2-(4,5-dimethylimidazol-1-yl)propanamide is sourced from PubChem (CID 62349835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).