N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide

C17H17Cl2NO2 — CID 4928572

IUPACN-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-15-10-12(18)7-8-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyXUMFUKWNPBHGDU-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.10
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide

N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide (PubChem CID 4928572) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
PubChem CID4928572
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-15-10-12(18)7-8-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyXUMFUKWNPBHGDU-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034426
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
N-(2,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034427
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide (CID 4928572) is N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide?
The InChIKey is XUMFUKWNPBHGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-15-10-12(18)7-8-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide?
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide has a molecular weight of 338.23 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 4928572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).