3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide

C22H24FN3O — CID 55858307

IUPAC3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C22H24FN3O/c1-16(2)22-24-12-13-26(22)15-18-4-3-5-20(14-18)25-21(27)11-8-17-6-9-19(23)10-7-17/h3-7,9-10,12-14,16H,8,11,15H2,1-2H3,(H,25,27)
InChIKeyAECKUPGOBXJJOF-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.77
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide

3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide (PubChem CID 55858307) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
PubChem CID55858307
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C22H24FN3O/c1-16(2)22-24-12-13-26(22)15-18-4-3-5-20(14-18)25-21(27)11-8-17-6-9-19(23)10-7-17/h3-7,9-10,12-14,16H,8,11,15H2,1-2H3,(H,25,27)
InChIKeyAECKUPGOBXJJOF-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55857924
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55808706
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55967727
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
3-[(4-acetylphenyl)sulfonylamino]-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858825
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide (CID 55858307) is 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide is CC(C)c1nccn1Cc1cccc(NC(=O)CCc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide?
The InChIKey is AECKUPGOBXJJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-16(2)22-24-12-13-26(22)15-18-4-3-5-20(14-18)25-21(27)11-8-17-6-9-19(23)10-7-17/h3-7,9-10,12-14,16H,8,11,15H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide?
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide has a molecular weight of 365.45 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 55858307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).