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

C18H20ClNO2 — CID 28633690

IUPAC(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-4-17(22-14-10-9-12(2)13(3)11-14)18(21)20-16-8-6-5-7-15(16)19/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyGAUUESXOFBKZDQ-KRWDZBQOSA-N
MW317.82 g/mol
LogP4.75
Rot. Bonds5

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

(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 28633690) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
PubChem CID28633690
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-4-17(22-14-10-9-12(2)13(3)11-14)18(21)20-16-8-6-5-7-15(16)19/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyGAUUESXOFBKZDQ-KRWDZBQOSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide (CID 28633690) is (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide is CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is GAUUESXOFBKZDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-17(22-14-10-9-12(2)13(3)11-14)18(21)20-16-8-6-5-7-15(16)19/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide?
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 317.82 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 28633690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).