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

C14H17FN4O — CID 62223733

IUPAC2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCNCc1nccn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O/c1-2-16-9-13-17-7-8-19(13)10-14(20)18-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3,(H,18,20)
InChIKeyXKDYIKXSGHFLBT-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.77
Rot. Bonds6

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

2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 62223733) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID62223733
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCNCc1nccn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O/c1-2-16-9-13-17-7-8-19(13)10-14(20)18-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3,(H,18,20)
InChIKeyXKDYIKXSGHFLBT-UHFFFAOYSA-N
XLogP1.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 55048330
N-(4-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62221270
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 62223411
N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62221444
N-(4-fluorophenyl)-2-(2-oxopyrazin-1-yl)acetamide
CID 112753379
N-(4-fluorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 113244392
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide (CID 62223733) is 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide is CCNCc1nccn1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is XKDYIKXSGHFLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-16-9-13-17-7-8-19(13)10-14(20)18-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 62223733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).