2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide

C18H22FN3O2 — CID 75464012

IUPAC2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
SMILESCc1nccn1-c1ccc(NC(=O)C(C)OC2CCCC2)cc1F
InChIInChI=1S/C18H22FN3O2/c1-12(24-15-5-3-4-6-15)18(23)21-14-7-8-17(16(19)11-14)22-10-9-20-13(22)2/h7-12,15H,3-6H2,1-2H3,(H,21,23)
InChIKeyHIXLZPFCJHPZHN-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.61
Rot. Bonds5

About 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide

2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide (PubChem CID 75464012) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
PubChem CID75464012
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
SMILESCc1nccn1-c1ccc(NC(=O)C(C)OC2CCCC2)cc1F
InChIInChI=1S/C18H22FN3O2/c1-12(24-15-5-3-4-6-15)18(23)21-14-7-8-17(16(19)11-14)22-10-9-20-13(22)2/h7-12,15H,3-6H2,1-2H3,(H,21,23)
InChIKeyHIXLZPFCJHPZHN-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-3-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9797059
N-[[(5S)-3-[4-(4-bromoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9800927
2-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 61406197
N~2~-[4-(2-methyl-1H-imidazol-1-yl)benzyl]tetrahydro-2-furancarboxamide
CID 53159108
N-[3-Fluoro-4-(morpholin-4-YL)phenyl]-4-(2-methylimidazol-1-YL)butanamide
CID 46968551
2-cyclohexyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]acetamide
CID 53510652
Methyl 2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 53608975
6-N,6-N-diethyl-1-N'-(4-fluorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 155900708
(5S)-5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 10826304
(S)-N-{3-[4-(4-(1H-imidazol-1-yl)-piperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 16062381
N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18378819
1-[2-Fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one
CID 21071220

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide (CID 75464012) is 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide is Cc1nccn1-c1ccc(NC(=O)C(C)OC2CCCC2)cc1F.
What is the InChIKey of 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide?
The InChIKey is HIXLZPFCJHPZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12(24-15-5-3-4-6-15)18(23)21-14-7-8-17(16(19)11-14)22-10-9-20-13(22)2/h7-12,15H,3-6H2,1-2H3,(H,21,23).
What are the key properties of 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide?
2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 75464012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).