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

C21H22FN3O2 — CID 25369016

IUPAC(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-4-10-18(11-5-14)27-15(2)21(26)24-19(20-23-12-13-25(20)3)16-6-8-17(22)9-7-16/h4-13,15,19H,1-3H3,(H,24,26)/t15-,19-/m1/s1
InChIKeyDEUAOYKCBQEOOZ-DNVCBOLYSA-N
MW367.42 g/mol
LogP3.54
Rot. Bonds6

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

(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide (PubChem CID 25369016) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
PubChem CID25369016
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-4-10-18(11-5-14)27-15(2)21(26)24-19(20-23-12-13-25(20)3)16-6-8-17(22)9-7-16/h4-13,15,19H,1-3H3,(H,24,26)/t15-,19-/m1/s1
InChIKeyDEUAOYKCBQEOOZ-DNVCBOLYSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25358227
(2S)-2-(4-bromophenoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25372368
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55521199
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 40952493
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47046905
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide
CID 41441488
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 25344752

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide (CID 25369016) is (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1.
What is the InChIKey of (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is DEUAOYKCBQEOOZ-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-4-10-18(11-5-14)27-15(2)21(26)24-19(20-23-12-13-25(20)3)16-6-8-17(22)9-7-16/h4-13,15,19H,1-3H3,(H,24,26)/t15-,19-/m1/s1.
What are the key properties of (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide?
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 367.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 25369016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).