(2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide

C13H18Cl2N2O3 — CID 22946144

IUPAC(2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCCOCCO
InChIInChI=1S/C13H18Cl2N2O3/c14-10-2-1-9(7-11(10)15)8-12(16)13(19)17-3-5-20-6-4-18/h1-2,7,12,18H,3-6,8,16H2,(H,17,19)/t12-/m0/s1
InChIKeyFCYXQSWHVFZDBY-LBPRGKRZSA-N
MW321.20 g/mol
LogP0.99
Rot. Bonds8

About (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide

(2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide (PubChem CID 22946144) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
PubChem CID22946144
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC Name(2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCCOCCO
InChIInChI=1S/C13H18Cl2N2O3/c14-10-2-1-9(7-11(10)15)8-12(16)13(19)17-3-5-20-6-4-18/h1-2,7,12,18H,3-6,8,16H2,(H,17,19)/t12-/m0/s1
InChIKeyFCYXQSWHVFZDBY-LBPRGKRZSA-N
XLogP0.99
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide (CID 22946144) is (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide is N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCCOCCO.
What is the InChIKey of (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The InChIKey is FCYXQSWHVFZDBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3/c14-10-2-1-9(7-11(10)15)8-12(16)13(19)17-3-5-20-6-4-18/h1-2,7,12,18H,3-6,8,16H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
(2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide has a molecular weight of 321.20 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3,4-dichlorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide is sourced from PubChem (CID 22946144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).