(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide

C18H19Cl2NO2 — CID 9238690

IUPAC(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-11(2)13-4-7-15(8-5-13)23-12(3)18(22)21-17-9-6-14(19)10-16(17)20/h4-12H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyQWFDGDOQQUNBDM-GFCCVEGCSA-N
MW352.26 g/mol
LogP5.52
Rot. Bonds5

About (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide

(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 9238690) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID9238690
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-11(2)13-4-7-15(8-5-13)23-12(3)18(22)21-17-9-6-14(19)10-16(17)20/h4-12H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyQWFDGDOQQUNBDM-GFCCVEGCSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide (CID 9238690) is (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide is CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is QWFDGDOQQUNBDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-11(2)13-4-7-15(8-5-13)23-12(3)18(22)21-17-9-6-14(19)10-16(17)20/h4-12H,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 352.26 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 9238690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).