(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide

C15H12Cl3NO2 — CID 903590

IUPAC(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12Cl3NO2/c1-9(21-14-8-10(16)6-7-12(14)18)15(20)19-13-5-3-2-4-11(13)17/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyCHKBAVRSRJNFED-SECBINFHSA-N
MW344.63 g/mol
LogP5.05
Rot. Bonds4

About (2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide

(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide (PubChem CID 903590) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
PubChem CID903590
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12Cl3NO2/c1-9(21-14-8-10(16)6-7-12(14)18)15(20)19-13-5-3-2-4-11(13)17/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyCHKBAVRSRJNFED-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)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide (CID 903590) is (2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide is C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide?
The InChIKey is CHKBAVRSRJNFED-SECBINFHSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-9(21-14-8-10(16)6-7-12(14)18)15(20)19-13-5-3-2-4-11(13)17/h2-9H,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide?
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)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)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide is sourced from PubChem (CID 903590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).