N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide

C17H17Cl2NO2 — CID 43916773

IUPACN-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H17Cl2NO2/c1-3-16(22-13-7-4-6-12(18)10-13)17(21)20-15-9-5-8-14(19)11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyXJVBZTWRAVBJHN-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.10
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide

N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide (PubChem CID 43916773) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
PubChem CID43916773
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H17Cl2NO2/c1-3-16(22-13-7-4-6-12(18)10-13)17(21)20-15-9-5-8-14(19)11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyXJVBZTWRAVBJHN-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

(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide
CID 28575679
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885
(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
CID 92682680
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
methyl 2-[2-(3-chlorophenoxy)butanoylamino]benzoate
CID 43904326
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
N-(3-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133184207

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide (CID 43916773) is N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide?
The InChIKey is XJVBZTWRAVBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-16(22-13-7-4-6-12(18)10-13)17(21)20-15-9-5-8-14(19)11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide?
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)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-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide is sourced from PubChem (CID 43916773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).