N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide

C20H20FN3O — CID 16677413

IUPACN-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccnc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-2-18(15-8-10-17(21)11-9-15)23-19(25)14-24-13-12-22-20(24)16-6-4-3-5-7-16/h3-13,18H,2,14H2,1H3,(H,23,25)
InChIKeyXUIQQODRCXRBGT-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.96
Rot. Bonds6

About N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide

N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide (PubChem CID 16677413) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide
PubChem CID16677413
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccnc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-2-18(15-8-10-17(21)11-9-15)23-19(25)14-24-13-12-22-20(24)16-6-4-3-5-7-16/h3-13,18H,2,14H2,1H3,(H,23,25)
InChIKeyXUIQQODRCXRBGT-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-Fluorophenyl)-12-(1-phenylethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9843261
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4-(2-Fluorophenyl)-12-(2-phenylethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 10862033
4-(2-Fluorophenyl)-12-[1-(4-fluorophenyl)ethyl]-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 10873204
12-Butanoyl-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 10893600
4-(2-Fluorophenyl)-12-[1-(2-fluorophenyl)ethyl]-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide (CID 16677413) is N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide is CCC(NC(=O)Cn1ccnc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide?
The InChIKey is XUIQQODRCXRBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-2-18(15-8-10-17(21)11-9-15)23-19(25)14-24-13-12-22-20(24)16-6-4-3-5-7-16/h3-13,18H,2,14H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide?
N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-2-(2-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 16677413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).