(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide

C16H20FN3O2 — CID 38011679

IUPAC(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H20FN3O2/c1-2-15(22-14-6-4-13(17)5-7-14)16(21)19-8-3-10-20-11-9-18-12-20/h4-7,9,11-12,15H,2-3,8,10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyZFCCWRGIMYQATQ-OAHLLOKOSA-N
MW305.35 g/mol
LogP2.39
Rot. Bonds8

About (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide

(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide (PubChem CID 38011679) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
PubChem CID38011679
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H20FN3O2/c1-2-15(22-14-6-4-13(17)5-7-14)16(21)19-8-3-10-20-11-9-18-12-20/h4-7,9,11-12,15H,2-3,8,10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyZFCCWRGIMYQATQ-OAHLLOKOSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
CID 43904679
(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 92686153
(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 28576885
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
1-[(1S)-1-(4-fluorophenyl)propyl]-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide
CID 95802400
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide
CID 25252601
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide
CID 94016366
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide (CID 38011679) is (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCn1ccnc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The InChIKey is ZFCCWRGIMYQATQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-15(22-14-6-4-13(17)5-7-14)16(21)19-8-3-10-20-11-9-18-12-20/h4-7,9,11-12,15H,2-3,8,10H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide has a molecular weight of 305.35 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide is sourced from PubChem (CID 38011679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).