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

C17H17Cl2NO2 — CID 4944864

IUPACN-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-5-11(2)16(8-10)22-12(3)17(21)20-15-9-13(18)6-7-14(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyLLCJPWDGGBTLTL-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

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

N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide (PubChem CID 4944864) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
PubChem CID4944864
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-10-4-5-11(2)16(8-10)22-12(3)17(21)20-15-9-13(18)6-7-14(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyLLCJPWDGGBTLTL-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

N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 53267001
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 18279733
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941358
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide (CID 4944864) is N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide?
The InChIKey is LLCJPWDGGBTLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-4-5-11(2)16(8-10)22-12(3)17(21)20-15-9-13(18)6-7-14(15)19/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide?
N-(2,5-dichlorophenyl)-2-(2,5-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-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 4944864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).