(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide

C21H26FNO2 — CID 28580208

IUPAC(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1
InChIInChI=1S/C21H26FNO2/c1-4-20(25-18-12-10-17(22)11-13-18)21(24)23-19(14-15(2)3)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3,(H,23,24)/t19-,20+/m0/s1
InChIKeyGBKAYYSCJSQSGO-VQTJNVASSA-N
MW343.44 g/mol
LogP4.89
Rot. Bonds8

About (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide

(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide (PubChem CID 28580208) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
PubChem CID28580208
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1
InChIInChI=1S/C21H26FNO2/c1-4-20(25-18-12-10-17(22)11-13-18)21(24)23-19(14-15(2)3)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3,(H,23,24)/t19-,20+/m0/s1
InChIKeyGBKAYYSCJSQSGO-VQTJNVASSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
CID 30383764
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide (CID 28580208) is (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide?
The InChIKey is GBKAYYSCJSQSGO-VQTJNVASSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-4-20(25-18-12-10-17(22)11-13-18)21(24)23-19(14-15(2)3)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3,(H,23,24)/t19-,20+/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide?
(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide has a molecular weight of 343.44 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide is sourced from PubChem (CID 28580208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).