3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide

C16H20FN3O — CID 122561459

IUPAC3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
SMILESCCCn1ccnc1CNC(=O)CCc1cccc(F)c1
InChIInChI=1S/C16H20FN3O/c1-2-9-20-10-8-18-15(20)12-19-16(21)7-6-13-4-3-5-14(17)11-13/h3-5,8,10-11H,2,6-7,9,12H2,1H3,(H,19,21)
InChIKeyOTLRDYRUDYNYMM-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.68
Rot. Bonds7

About 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide

3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide (PubChem CID 122561459) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
PubChem CID122561459
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
SMILESCCCn1ccnc1CNC(=O)CCc1cccc(F)c1
InChIInChI=1S/C16H20FN3O/c1-2-9-20-10-8-18-15(20)12-19-16(21)7-6-13-4-3-5-14(17)11-13/h3-5,8,10-11H,2,6-7,9,12H2,1H3,(H,19,21)
InChIKeyOTLRDYRUDYNYMM-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730389
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
2-(2-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 91768236
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109
3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
CID 97078263

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide (CID 122561459) is 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide is CCCn1ccnc1CNC(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide?
The InChIKey is OTLRDYRUDYNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-9-20-10-8-18-15(20)12-19-16(21)7-6-13-4-3-5-14(17)11-13/h3-5,8,10-11H,2,6-7,9,12H2,1H3,(H,19,21).
What are the key properties of 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide?
3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide has a molecular weight of 289.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 122561459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).