2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide

C17H17Cl2NO2 — CID 19191633

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-10-8-15(9-11(2)16(10)19)22-12(3)17(21)20-14-6-4-13(18)5-7-14/h4-9,12H,1-3H3,(H,20,21)
InChIKeyQBQMPGMGIMHDBH-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

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

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide (PubChem CID 19191633) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
PubChem CID19191633
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-10-8-15(9-11(2)16(10)19)22-12(3)17(21)20-14-6-4-13(18)5-7-14/h4-9,12H,1-3H3,(H,20,21)
InChIKeyQBQMPGMGIMHDBH-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide (CID 19191633) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide?
The InChIKey is QBQMPGMGIMHDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-8-15(9-11(2)16(10)19)22-12(3)17(21)20-14-6-4-13(18)5-7-14/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)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 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 19191633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).