(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide

C25H24ClNO3 — CID 92681200

IUPAC(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C25H24ClNO3/c1-4-23(30-20-12-10-16(2)17(3)14-20)25(29)27-22-13-11-19(26)15-21(22)24(28)18-8-6-5-7-9-18/h5-15,23H,4H2,1-3H3,(H,27,29)/t23-/m1/s1
InChIKeyJKFMNZDOUPISGX-HSZRJFAPSA-N
MW421.92 g/mol
LogP5.98
Rot. Bonds7

About (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide

(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 92681200) has the molecular formula C25H24ClNO3 and a molecular weight of 421.92 g/mol. Its IUPAC name is (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
PubChem CID92681200
Molecular FormulaC25H24ClNO3
Molecular Weight421.92 g/mol
Exact Mass421.14
IUPAC Name(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C25H24ClNO3/c1-4-23(30-20-12-10-16(2)17(3)14-20)25(29)27-22-13-11-19(26)15-21(22)24(28)18-8-6-5-7-9-18/h5-15,23H,4H2,1-3H3,(H,27,29)/t23-/m1/s1
InChIKeyJKFMNZDOUPISGX-HSZRJFAPSA-N
XLogP5.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 99952036
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 53266932
N-(2-benzoylphenyl)-2-(4-fluorophenoxy)butanamide
CID 132656695
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide (CID 92681200) is (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is JKFMNZDOUPISGX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24ClNO3/c1-4-23(30-20-12-10-16(2)17(3)14-20)25(29)27-22-13-11-19(26)15-21(22)24(28)18-8-6-5-7-9-18/h5-15,23H,4H2,1-3H3,(H,27,29)/t23-/m1/s1.
What are the key properties of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 421.92 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 92681200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).