(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide

C11H14ClNO4 — CID 164935451

IUPAC(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NOCCO
InChIInChI=1S/C11H14ClNO4/c1-8(11(15)13-16-7-6-14)17-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyZLKARHNJLIYJSP-QMMMGPOBSA-N
MW259.69 g/mol
LogP1.15
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide

(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide (PubChem CID 164935451) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
PubChem CID164935451
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NOCCO
InChIInChI=1S/C11H14ClNO4/c1-8(11(15)13-16-7-6-14)17-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyZLKARHNJLIYJSP-QMMMGPOBSA-N
XLogP1.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide
CID 170322640
N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
CID 112551058
(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 164935393
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
CID 79676608
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
(2R)-2-[2-(4-chlorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107823311
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide (CID 164935451) is (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)NOCCO.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide?
The InChIKey is ZLKARHNJLIYJSP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-8(11(15)13-16-7-6-14)17-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide?
(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide has a molecular weight of 259.69 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide is sourced from PubChem (CID 164935451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).