(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide

C20H20FN3O2 — CID 92686153

IUPAC(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H20FN3O2/c1-2-19(26-17-9-7-16(21)8-10-17)20(25)23-13-15-5-3-4-6-18(15)24-12-11-22-14-24/h3-12,14,19H,2,13H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyZFDYQXHWKQROSG-LJQANCHMSA-N
MW353.40 g/mol
LogP3.49
Rot. Bonds7

About (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide

(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide (PubChem CID 92686153) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
PubChem CID92686153
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H20FN3O2/c1-2-19(26-17-9-7-16(21)8-10-17)20(25)23-13-15-5-3-4-6-18(15)24-12-11-22-14-24/h3-12,14,19H,2,13H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyZFDYQXHWKQROSG-LJQANCHMSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 28574318
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679
(2R)-2-(2-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 92685089
2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide
CID 25252601
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 97186840
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
1-[2-(4-fluorophenyl)ethyl]-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine
CID 111230379
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
CID 99956967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide (CID 92686153) is (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1ccnc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide?
The InChIKey is ZFDYQXHWKQROSG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-2-19(26-17-9-7-16(21)8-10-17)20(25)23-13-15-5-3-4-6-18(15)24-12-11-22-14-24/h3-12,14,19H,2,13H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide?
(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide has a molecular weight of 353.40 g/mol, XLogP of 3.49, 7 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-[(2-imidazol-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 92686153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).