(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide

C17H17ClFNO2 — CID 9173655

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H17ClFNO2/c1-3-15(22-16-7-5-4-6-13(16)19)17(21)20-14-10-12(18)9-8-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyVHFNBGNBLNMLLU-HNNXBMFYSA-N
MW321.78 g/mol
LogP4.58
Rot. Bonds5

About (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide

(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide (PubChem CID 9173655) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
PubChem CID9173655
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H17ClFNO2/c1-3-15(22-16-7-5-4-6-13(16)19)17(21)20-14-10-12(18)9-8-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyVHFNBGNBLNMLLU-HNNXBMFYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
ethyl 3-[2-(2-fluorophenoxy)butanoylamino]-4-methylbenzoate
CID 132654115
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide (CID 9173655) is (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide is CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide?
The InChIKey is VHFNBGNBLNMLLU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-3-15(22-16-7-5-4-6-13(16)19)17(21)20-14-10-12(18)9-8-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide?
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide has a molecular weight of 321.78 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 9173655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).