(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide

C18H19ClN2O3 — CID 92681679

IUPAC(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-17(24-16-6-4-5-13(19)11-16)18(23)21-15-9-7-14(8-10-15)20-12(2)22/h4-11,17H,3H2,1-2H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyUIAFBJUBPIJSQZ-KRWDZBQOSA-N
MW346.81 g/mol
LogP4.09
Rot. Bonds6

About (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide

(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide (PubChem CID 92681679) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
PubChem CID92681679
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-17(24-16-6-4-5-13(19)11-16)18(23)21-15-9-7-14(8-10-15)20-12(2)22/h4-11,17H,3H2,1-2H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyUIAFBJUBPIJSQZ-KRWDZBQOSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
methyl 4-[[(2R)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28635665
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640
butyl 4-[[(2S)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28567491
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 99952784
2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43908669
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide
CID 133239980
(2S)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005943

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide (CID 92681679) is (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide?
The InChIKey is UIAFBJUBPIJSQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-17(24-16-6-4-5-13(19)11-16)18(23)21-15-9-7-14(8-10-15)20-12(2)22/h4-11,17H,3H2,1-2H3,(H,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide?
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide has a molecular weight of 346.81 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide is sourced from PubChem (CID 92681679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).