N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide

C17H17Cl2NO2 — CID 53266186

IUPACN-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-5-16(6-11(10)2)22-12(3)17(21)20-15-8-13(18)7-14(19)9-15/h4-9,12H,1-3H3,(H,20,21)
InChIKeyXDHUCRGWZXXWDB-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide

N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 53266186) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
PubChem CID53266186
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-5-16(6-11(10)2)22-12(3)17(21)20-15-8-13(18)7-14(19)9-15/h4-9,12H,1-3H3,(H,20,21)
InChIKeyXDHUCRGWZXXWDB-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
CID 17169474
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide (CID 53266186) is N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is XDHUCRGWZXXWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-4-5-16(6-11(10)2)22-12(3)17(21)20-15-8-13(18)7-14(19)9-15/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide?
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 338.23 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 53266186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).