N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide

C17H17ClFNO2 — CID 78843004

IUPACN-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H17ClFNO2/c1-3-15(22-16-7-5-4-6-13(16)19)17(21)20-14-9-8-12(18)10-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)
InChIKeyNWDLIFUWCISJRI-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.58
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide

N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide (PubChem CID 78843004) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
PubChem CID78843004
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H17ClFNO2/c1-3-15(22-16-7-5-4-6-13(16)19)17(21)20-14-9-8-12(18)10-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)
InChIKeyNWDLIFUWCISJRI-UHFFFAOYSA-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

(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218
ethyl 3-[2-(2-fluorophenoxy)butanoylamino]-4-methylbenzoate
CID 132654115

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide (CID 78843004) is N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide is CCC(Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide?
The InChIKey is NWDLIFUWCISJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-3-15(22-16-7-5-4-6-13(16)19)17(21)20-14-9-8-12(18)10-11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide?
N-(4-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 N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 78843004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).