N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide

C12H16ClNO3 — CID 110885506

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c1-2-17-8-12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyPYQGHRVJPIPXPS-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide (PubChem CID 110885506) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
PubChem CID110885506
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c1-2-17-8-12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyPYQGHRVJPIPXPS-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
CID 120588649
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
CID 21290714
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 42883568
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide (CID 110885506) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide is CCOCC(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide?
The InChIKey is PYQGHRVJPIPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-2-17-8-12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide has a molecular weight of 257.72 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide is sourced from PubChem (CID 110885506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).