(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

C19H22FNO2 — CID 99132269

IUPAC(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C19H22FNO2/c1-4-17(23-18-8-6-5-7-16(18)20)19(22)21-14(3)15-11-9-13(2)10-12-15/h5-12,14,17H,4H2,1-3H3,(H,21,22)/t14-,17+/m0/s1
InChIKeyGZZZBOQWQQKKJD-WMLDXEAASA-N
MW315.39 g/mol
LogP4.17
Rot. Bonds6

About (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (PubChem CID 99132269) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
PubChem CID99132269
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C19H22FNO2/c1-4-17(23-18-8-6-5-7-16(18)20)19(22)21-14(3)15-11-9-13(2)10-12-15/h5-12,14,17H,4H2,1-3H3,(H,21,22)/t14-,17+/m0/s1
InChIKeyGZZZBOQWQQKKJD-WMLDXEAASA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132352
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132357
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (CID 99132269) is (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is GZZZBOQWQQKKJD-WMLDXEAASA-N. The full InChI is InChI=1S/C19H22FNO2/c1-4-17(23-18-8-6-5-7-16(18)20)19(22)21-14(3)15-11-9-13(2)10-12-15/h5-12,14,17H,4H2,1-3H3,(H,21,22)/t14-,17+/m0/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 315.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 99132269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).