(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide

C18H19Cl2NO2 — CID 92678020

IUPAC(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-4-17(23-14-7-5-11(2)12(3)9-14)18(22)21-13-6-8-15(19)16(20)10-13/h5-10,17H,4H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyHYZAIRCTENWXQE-KRWDZBQOSA-N
MW352.26 g/mol
LogP5.41
Rot. Bonds5

About (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide

(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 92678020) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
PubChem CID92678020
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-4-17(23-14-7-5-11(2)12(3)9-14)18(22)21-13-6-8-15(19)16(20)10-13/h5-10,17H,4H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyHYZAIRCTENWXQE-KRWDZBQOSA-N
XLogP5.41
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 ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
(2S)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
CID 28577445
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide (CID 92678020) is (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide is CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is HYZAIRCTENWXQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-4-17(23-14-7-5-11(2)12(3)9-14)18(22)21-13-6-8-15(19)16(20)10-13/h5-10,17H,4H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 352.26 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 92678020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).