2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide

C15H18FN3O3 — CID 154783900

IUPAC2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NC(CO)c1ncc[nH]1
InChIInChI=1S/C15H18FN3O3/c1-2-12(22-13-6-4-3-5-10(13)16)15(21)19-11(9-20)14-17-7-8-18-14/h3-8,11-12,20H,2,9H2,1H3,(H,17,18)(H,19,21)
InChIKeyOLZOGNAZEFHZQU-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.56
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide

2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide (PubChem CID 154783900) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide
PubChem CID154783900
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NC(CO)c1ncc[nH]1
InChIInChI=1S/C15H18FN3O3/c1-2-12(22-13-6-4-3-5-10(13)16)15(21)19-11(9-20)14-17-7-8-18-14/h3-8,11-12,20H,2,9H2,1H3,(H,17,18)(H,19,21)
InChIKeyOLZOGNAZEFHZQU-UHFFFAOYSA-N
XLogP1.56
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 71863908
N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119668887
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590
2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191590
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide (CID 154783900) is 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide is CCC(Oc1ccccc1F)C(=O)NC(CO)c1ncc[nH]1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide?
The InChIKey is OLZOGNAZEFHZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-2-12(22-13-6-4-3-5-10(13)16)15(21)19-11(9-20)14-17-7-8-18-14/h3-8,11-12,20H,2,9H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide?
2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide has a molecular weight of 307.32 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 154783900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).