(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide

C15H12Cl3NO2 — CID 124506694

IUPAC(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl3NO2/c1-9(21-11-7-5-10(16)6-8-11)15(20)19-14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyJGZZCHAVRYOHBP-SECBINFHSA-N
MW344.63 g/mol
LogP5.05
Rot. Bonds4

About (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide

(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 124506694) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
PubChem CID124506694
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl3NO2/c1-9(21-11-7-5-10(16)6-8-11)15(20)19-14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyJGZZCHAVRYOHBP-SECBINFHSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide (CID 124506694) is (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is JGZZCHAVRYOHBP-SECBINFHSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-9(21-11-7-5-10(16)6-8-11)15(20)19-14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide?
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 344.63 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 124506694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).