N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide

C13H15FN4O — CID 106718340

IUPACN-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide
SMILESCNCc1cn(CC(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C13H15FN4O/c1-15-6-10-7-18(9-16-10)8-13(19)17-12-5-3-2-4-11(12)14/h2-5,7,9,15H,6,8H2,1H3,(H,17,19)
InChIKeyZXJHWYXNAXXHSJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.38
Rot. Bonds5

About N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide (PubChem CID 106718340) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide
PubChem CID106718340
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide
SMILESCNCc1cn(CC(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C13H15FN4O/c1-15-6-10-7-18(9-16-10)8-13(19)17-12-5-3-2-4-11(12)14/h2-5,7,9,15H,6,8H2,1H3,(H,17,19)
InChIKeyZXJHWYXNAXXHSJ-UHFFFAOYSA-N
XLogP1.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide (CID 106718340) is N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide is CNCc1cn(CC(=O)Nc2ccccc2F)cn1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide?
The InChIKey is ZXJHWYXNAXXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-15-6-10-7-18(9-16-10)8-13(19)17-12-5-3-2-4-11(12)14/h2-5,7,9,15H,6,8H2,1H3,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide has a molecular weight of 262.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 106718340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).