2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide

C17H16ClF2NO2 — CID 53288921

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2NO2/c1-3-16(23-12-5-6-13(18)10(2)8-12)17(22)21-15-7-4-11(19)9-14(15)20/h4-9,16H,3H2,1-2H3,(H,21,22)
InChIKeySTKAERRWNNHGBJ-UHFFFAOYSA-N
MW339.77 g/mol
LogP4.72
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide

2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide (PubChem CID 53288921) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
PubChem CID53288921
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2NO2/c1-3-16(23-12-5-6-13(18)10(2)8-12)17(22)21-15-7-4-11(19)9-14(15)20/h4-9,16H,3H2,1-2H3,(H,21,22)
InChIKeySTKAERRWNNHGBJ-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9181885
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide (CID 53288921) is 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide?
The InChIKey is STKAERRWNNHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c1-3-16(23-12-5-6-13(18)10(2)8-12)17(22)21-15-7-4-11(19)9-14(15)20/h4-9,16H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide?
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide has a molecular weight of 339.77 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide is sourced from PubChem (CID 53288921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).