(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C20H19ClFN3O2 — CID 40952493

IUPAC(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C20H19ClFN3O2/c1-13(27-17-8-6-15(21)7-9-17)20(26)24-18(19-23-10-11-25(19)2)14-4-3-5-16(22)12-14/h3-13,18H,1-2H3,(H,24,26)/t13-,18-/m1/s1
InChIKeyIHYMWRFBXISHFN-FZKQIMNGSA-N
MW387.84 g/mol
LogP3.89
Rot. Bonds6

About (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 40952493) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID40952493
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C20H19ClFN3O2/c1-13(27-17-8-6-15(21)7-9-17)20(26)24-18(19-23-10-11-25(19)2)14-4-3-5-16(22)12-14/h3-13,18H,1-2H3,(H,24,26)/t13-,18-/m1/s1
InChIKeyIHYMWRFBXISHFN-FZKQIMNGSA-N
XLogP3.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47046905
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 55772975
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
(2S)-2-(4-bromophenoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25372368
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
CID 55685694
(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25358227
2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55456727
N-[1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42942160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 40952493) is (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is IHYMWRFBXISHFN-FZKQIMNGSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-13(27-17-8-6-15(21)7-9-17)20(26)24-18(19-23-10-11-25(19)2)14-4-3-5-16(22)12-14/h3-13,18H,1-2H3,(H,24,26)/t13-,18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 387.84 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 40952493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).